Roe, Arthur’s team published research in Journal of Organic Chemistry in 20 | CAS: 350-19-6

Journal of Organic Chemistry published new progress about 350-19-6. 350-19-6 belongs to esters-buliding-blocks, auxiliary class Fluoride,Benzene,Ester, name is Ethyl 3,5-difluorobenzoate, and the molecular formula is C9H8F2O2, Application of Ethyl 3,5-difluorobenzoate.

Roe, Arthur published the artcileThe preparation of some fluoro- and trifluoromethylphenothiazines, and some observations regarding determination of their structure by infrared spectroscopy, Application of Ethyl 3,5-difluorobenzoate, the publication is Journal of Organic Chemistry (1955), 1577-90, database is CAplus.

A number of fluorophenothiazines which may be of interest as antioxidants in lubricating oils are prepared Adding slowly with stirring 16 g. Br in 25 cc. AcOH to 12.9 g. 2,4-F2C6H3NH2 in 75 cc. AcOH at 25°, removing after 0.5 hr. any excess Br with Na2S2O3, then adding 11.2 g. NaOAc in 100 cc. H2O, and cooling the mixture in an ice bath give 81% 2,4,6-F2BrC6H2NH2 (I), m. 41-2°. I has a high vapor pressure [N-Ac derivative (II), 90%, prepared with Ac2O, m. 156-7°]. 2,4-F2C6H3NHAc cannot be brominated in AcOH. Deamination of I with H3PO2 gives 74% 3,5-F2C6H3Br (III), b. 140°, d23 1.676, nD23 1.4989. Adding a Grignard reagent of 14.5 g. III and 1.9 g. Mg in 50 cc. Et2O to Dry Ice in Et2O gives 64% 3,5-F2C6H3CO2H, m. 121-2°, also obtained when 18 g. 3,5-(H2N)2C6H3CO2Et in 480 g. 45% HBF4 is treated at -10° with 15 g. NaNO2, the bis(diazonium fluoborate) (40 g., decomposing about 175°) is decomposed at 30 mm., and the Et ester, b46 103-5°, b760 200°, nD25 1.4670, d25 1.201, saponified with KOH. Stirring 23 g. 2,6-ClFC6H3CO2H in 100 cc. concentrated H2SO24 1 hr. at 60°, adding (1.5 hrs.) 10 g. NaN3 in small portions at 65°, keeping the mixture overnight, making it basic with NH4OH, and steam distilling it give 70% 2,6-ClFC6H3NH2 (IV), b30 91°, nD23 1.5511, d23 1.316 (Ac derivative, prepared in 71% yield by refluxing 6 g. IV 1.5 hrs. in 25 cc. AcOH and 4.2 g. Ac2O, platelets, m. 134-5°). Adding 9.1 g. NaNO2 in small portions to 24 g. 2,3-O2N(H2N)C6H3CF3 in 300 cc. 50% H2SO4 at 0°, stirring the mixture 15 min., pouring it into 160 cc. 10% CuCl at 20°, keeping it 1 hr. at 20°, diluting it with 100 cc. H20, and steam distilling it give 52% 3-Cl analog, b27 125-6°, nD24 1.4782, d24 1.531. 3,4-Cl(O2N)C6H3CF3, prepared in the same way in 53% yield, b28 116°, nD24 1.4864, d24 1.527. Refluxing 17 hrs. 0.1 mole of the appropriate acetanilide, 0.2 mole PhBr, 0.1 mole anhydrous K2CO3, 20 cc. PhNO2, 6 g. catalyst mixture (consisting of equal parts by weight of CuI, KI, and Cu powder), and a crystal of iodine, steam distilling the mixture, extracting the distillation residue with Et2O, refluxing the Et2O residue 3.5 hrs. in 100 cc. 20% alc. KOH, pouring the solution into 800 cc. saturated NaCl solution, and extracting with Et2O give the fluorodiphenylamine of which the following are prepared: 2-F (V), 80%, yellow oil, b3 111.5°, d23 1.165, nD23 1.6171 (N-Bz derivative, m. 129-30°); 3-F (VI), 56%, yellow oil, b10 149-50°, d23 1.176, nD23 1.6203; 2,5-di-F (VII), 68%, b9 138°, m. 45-5.5°; 2,4-di-F (VIIa), 63%, b3 110-13°, m. 42-2.5°; 3,5-di-F (VIII), 51%, b4 121-4°, m. 45-5.5°; 2,3′,5-tri-F, 63%, b2.5 105-6°, m. 31.5-2°; 2,4′,5-tri-F, 71%, b2.5 104-5°, m. 39.2-40°; 3,3′,5-tri-F (VIIIa), 49%, b3.5 121°, m. 27.5-8.5°; 3,4′,5-tri-F (IX), 65%, b4 127-8°, m. 60-1°; 3,3′,5,5′-tetra-F (X), 43%, m. 117-18°; 2,6-ClF (XI), 34%, b4 138-40°, m. 69-9.3°. Adding 4 g. NaOH in 30 cc. H2O to 12.5 g. o-H2NC6H4SH in 300 cc. absolute EtOH, then adding 0.1 mole of the appropriate halonitrobenzene in 100 cc. absolute EtOH, refluxing the mixture 0.5 hr. (3.5 hrs. in the preparation of XIII below), adding 100 cc. H2O to the boiling filtered solution, and cooling it slowly give the substituted o-H2NC6H4SC6H3RNO2-x,2 (XII) of which the following are prepared: R = 3-CF3(XIII), 67%, m. 72-3°; 4-CF3 (XIV), 89%, yellow, m. 108-9°; 5-CF3, 80%, yellow, m. 110-11°; 4-F, 70%, red, m. 73-4°; 5-F, 54%, yellow, m. 115-16.5°. Refluxing XII with 10 times its weight of 90% HCO2H 9-10 hrs. gives the substituted N-formyl derivative, o-OHCNHC6H4SC6H3RNO2-x,2, of which the following are prepared: x-R = 3-CF3 (XV), 92%,m. 137-8°; 4-CF3(XVI), 88%, yellow, m. 132-3°; 5-CF3 (XVII), 83%, yellow, m. 95-6°; 4-F (XVIII), 74%, yellow, m. 128-9°; 5-F (XIX), 74%, yellow, m. 116-17°. Refluxing 6.3 g. XIV 1 hr. with 2.8 g. BzCl in 25 cc. C5H5N gives 89% 2-[4,2-CF3(O2N)C6H3S]C6H4NHBz (XX), m. 127.5-8°. Heating 15 g. V, 5 g. S, and a few crystals of iodine 3 hrs. at 200-10° under reflux, boiling the tar obtained with 20% Na2S (to remove the excess S), extracting it with Et2O, treating the Et2O solution with Norit and Zn dust, and distilling the residue of the filtered Et2O solution give 2.2 g. unchanged V and 3 g. of a yellow solid, b2.5 140°, from which 9.3% 1-fluorophenothiazine (XXI), m. 81.5-2°, and 1.4% phenothiazine (XXII), m. 180-2°, are isolated. XXI gives a blood-red color with concentrated HNO3. When 1.9 g. V, 0.6 g. S, and a crystal of iodine are heated 1.5 hrs. in a sealed tube at 310-40° a few mg. XXI and 0.175 g. XXII are obtained. When 2.2 g. XI, 0.6 g. S, and a crystal of iodine are heated 1.5 hrs. at 300°, no crystalline product can be isolated. Heating 5 g. VI, 1.7 g. S, and a few crystals of iodine 1 hr. at 180° ± 5° gives 52% 2-fluorophenothiazine (XXIII), light yellow powder, m. 199° (decomposition); it gives a blood-red color with HNO3. In an attempted synthesis of 1,4-difluorophenothiazine (XXIV), XXIII is obtained. Several other attempts to prepare XXIV from VII, from VIIa, or 1,3-difluorophenothiazine also failed. Heating a carefully purified VIII with S and a crystal of iodine 35 min. at 175° gives 43% 2,4-difluorophenothiazine, subliming 130°/2.5 mm., m. 129-30°. Attempts to prepare 1,4,7- and 1,4,8-trifluorophenothiazines by ring closure of the appropriate trifluorodiphenylamines failed. Ring closure of IX with S and iodine 1 hr. at 190° gives 20% 2,4,7-trifluorophenothiazine, m. 147-8° (decomposition); 6.1 g. VIIIa, 1.75 g. S, and a crystal of iodine 2.5 hrs. at 170° give 44% 2,4,8-trifluorophenothiazine, m. 142-3°; 1.2 g. X, 0.31 g. S, and a crystal of iodine 1 min. at 230° and 20 min. at 210° (or 1.5 hrs. at 210-40°) give 13% (or 20%) 2,4,6,8-tetrafluorophenothiazine, needles, m. 193-3.5°. Refluxing 15 g. XVI in 150 cc. Me2CO 0.5 hr. with 44 cc. N NaOH, evaporating the solution to dryness, and extracting the residue with boiling CCl4 give 52% 3-trifluoromethylphenothiazine, m. 217-18°, also obtained in much lower yield from XX. In a similar way, XVII gives 59% 2-trifluoromethylphenothiazine, m. 189-90°, and XVIII gives 43% 3-fluorophenothiazine, m. 178-9°. Attempts to prepare 4-trifluoromethylphenothiazine by treating 4.6 g. XV in 46 cc. Me2CO with NaOH, or 2-fluorophenothiazine by refluxing 4.4 g. XIX in Me2CO with NaOH were unsuccessful. The infrared absorption spectra of these compounds are determined and an attempt is made to see if a reliable method of structure determination of fluorophenothiazines can be made with these spectra. It is found that this kind of structural determination should be approached with discretion.

Journal of Organic Chemistry published new progress about 350-19-6. 350-19-6 belongs to esters-buliding-blocks, auxiliary class Fluoride,Benzene,Ester, name is Ethyl 3,5-difluorobenzoate, and the molecular formula is C9H8F2O2, Application of Ethyl 3,5-difluorobenzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Wang, Qian’s team published research in Journal of Molecular Medicine (Heidelberg, Germany) in 98 | CAS: 617-52-7

Journal of Molecular Medicine (Heidelberg, Germany) published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C11H11BFNO4, Application of Dimethyl itaconate.

Wang, Qian published the artcileThe anti-inflammatory drug dimethyl itaconate protects against colitis-associated colorectal cancer, Application of Dimethyl itaconate, the publication is Journal of Molecular Medicine (Heidelberg, Germany) (2020), 98(10), 1457-1466, database is CAplus and MEDLINE.

Abstract: Colorectal cancer (CRC) is the third most common diagnosed cancer of which risk factors include unhealthy diet, smoking, and chronic inflammation. Weakening the inflammatory response emerges as an effective therapeutic strategy to prevent the progression of CRC. Inflammatory macrophages produce substantial amounts of immunoregulatory metabolite itaconate, which is synthesized by the immune response gene 1 (Irg1). In this study, we use a membrane-permeable itaconate derivative, di-Me itaconate (DI), for the protection against CRC in mouse model. DI decreased the high inflammatory state of ulcerative colitis and reduced the colitis-associated cancer (CAC) risk. Mechanistically, DI inhibited the secretion of the cytokines IL-1β and CCL2 from intestinal epithelial cells, and therefore reduced the recruitment of macrophages into tumor microenvironment. Meanwhile, the decrease of macrophage infiltration was accompanied by a decrease of myeloid-derived suppressor cell (MDSC) infiltration and the differentiation of T cell subsets into cytotoxic T cells. Our findings demonstrate the potential application of DI for the prevention of colitis-associated CRC. Key messages: Di-Me itaconate (DI) suppresses ulcerative colitis and colitis-associated colorectal cancer DI decreases infiltration of macrophages and myeloid-derived suppressor cells into tumor DI weakens the inflammatory response via inhibiting the secretion of IL-1β and CCL2.

Journal of Molecular Medicine (Heidelberg, Germany) published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C11H11BFNO4, Application of Dimethyl itaconate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Wang, Weijin’s team published research in Nature Communications in 12 | CAS: 103-26-4

Nature Communications published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C12H10FeO4, SDS of cas: 103-26-4.

Wang, Weijin published the artcileOxoammonium salts are catalysing efficient and selective halogenation of olefins, alkynes and aromatics, SDS of cas: 103-26-4, the publication is Nature Communications (2021), 12(1), 3873, database is CAplus and MEDLINE.

Herein, TEMPO (2,2,6,6-tetramethylpiperidine nitroxide) and its derivatives are disclosed as active catalysts for electrophilic halogenation of olefins e.., prop-1-en-1-ylbenzene, alkynes R1CCR2 (R1 = octyl, Ph; R2 = H, Me, n-Bu, Ph), and aromatics R3H (R3 = 3-(carboxymethyl)-4-methoxybenzen-1-yl, 2-[ethoxy(oxo)methane]-1H-indol-3-yl, 5-phenylthiophen-2-yl, etc.). These catalysts are stable, readily available, and reactive enough to activate haleniums including Br+, I+ and even Cl+ reagents. This catalytic system is applicable to various halogenations including haloarylation of olefins or dibromination of alkynes, which were rarely realized in previous Lewis base catalysis or Lewis acid catalysis. The high catalytic ability is attributed to a synergistic activation model of electrophilic halogenating reagents, where the carbonyl group and the halogen atom are both activated by present TEMPO catalysis.

Nature Communications published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C12H10FeO4, SDS of cas: 103-26-4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Bai, Yuye’s team published research in Tetrahedron Letters in 101 | CAS: 103-26-4

Tetrahedron Letters published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, SDS of cas: 103-26-4.

Bai, Yuye published the artcileRegioselective green preparation of haloether, haloesters and halohydrins by difunctionalization of alkenes, SDS of cas: 103-26-4, the publication is Tetrahedron Letters (2022), 153923, database is CAplus.

A protocol to generalize regioselective 1,2-difunctionalization of alkenes, which is a simple and efficient method for the preparation of haloethers, haloesters and halohydrins using alc. as nucleophiles with inexpensive and com. available N-halosuccinimide (NXS) as the halogenating reagent with low catalyst loading under mild reaction condition was demonstrated. The methodol. is also applicable for the easy access of various alkenes such as terminal, internal, heterocyclic ones and cyclic endoene with the striking features of high product yields (up to 99%); moreover, a bioactive mol. was employed as substrate to test this reaction, the corresponding products were successfully prepared with moderate to good yield without losing their ester functional group. The given protocol has the following advantages such as a direct difunctionalization of alkenes, operational simplicity, good functional group tolerance and a wide substrate scope.

Tetrahedron Letters published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, SDS of cas: 103-26-4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Lv, Xinran’s team published research in LWT–Food Science and Technology in 122 | CAS: 627-93-0

LWT–Food Science and Technology published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Recommanded Product: Dimethyl adipate.

Lv, Xinran published the artcileBacterial community succession and volatile compound changes during fermentation of shrimp paste from Chinese Jinzhou region, Recommanded Product: Dimethyl adipate, the publication is LWT–Food Science and Technology (2020), 108998, database is CAplus.

Jinzhou shrimp paste is a traditional Chinese fermented seafood product manufactured from northern mauxia shrimp (Acete chinensis) and salt. The aims of this study were to detect the bacterial community succession using high-throughput sequencing and the volatile compound changes using headspace solid-phase microextraction combined with gas chromatog.-mass spectrometry during shrimp paste fermentation The results show that various bacterial communities appeared in the fermentation process. Pseudoalteromonas and unclassified Pseudoalteromonadaceae were the dominant genera but quickly replaced by Tetragenococcus after 1 mo of fermentation Staphylococcus, Oceanobacillus and unclassified Bacillaceae became the predominant genera as fermentation progressed. In addition, a total of 25 volatile compounds were identified, including aldehydes, ketones, alcs., esters, pyrazines, acids, and sulfides. Correlation anal. indicated that the bacteria Pseudoalteromonas, Staphylococcus, and Oceanobacillus were important in the formation of volatile compounds Pseudoalteromonas pos. correlated with ketones, alcs., esters, and acids; Staphylococcus pos. correlated with aldehydes and acids; and Oceanobacillus pos. correlated with aldehydes and pyrazines. These findings not only reveal the dynamics of the bacterial community and volatile compounds in the fermentation process, but also indicate their inter-relationships during shrimp paste fermentation

LWT–Food Science and Technology published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Recommanded Product: Dimethyl adipate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Wang, Rong’s team published research in Dental Materials in 37 | CAS: 10287-53-3

Dental Materials published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C14H14, Category: esters-buliding-blocks.

Wang, Rong published the artcileMethacrylate-functionalized proanthocyanidins as novel polymerizable collagen crosslinkers – Part 2: Effects on polymerization, microhardness and leaching of adhesives, Category: esters-buliding-blocks, the publication is Dental Materials (2021), 37(7), 1193-1201, database is CAplus and MEDLINE.

The aim of the study was to investigate the effects of a novel polymerizable collagen crosslinker methacrylate-functionalized proanthocyanidins (MAPA) on the polymerization, microhardness and leaching of a HEMA-based exptl. dental adhesive system.Three MAPAs were synthesized using different methacrylate (MA) to proanthocyanidins (PA) feeding ratios of 1:2, 1:1, and 2:1 to obtain MAPA-1, MAPA-2, and MAPA-3, resp. The resulting three MAPAs and PA were added to an exptl. adhesive formulated with HEMA and a tri-component photoinitiator system (0.5 wt% CQ/EDMAB/DPIHP) at 1%, 5% and 10% MAPA or PA concentrations (wt%). The adhesive polymerization kinetics was measured continuously in real-time for 10 min using a Fourier-transform IR spectroscopy (FTIR) with an attenuated total reflectance (ATR) accessory. Degree of conversion (DC) and Vickers microhardness (MH) of cured adhesives were measured at 72 h post-cure. The leaching of cured adhesives in DI water was monitored using UV-vis spectrophotometer. Statistical anal. was performed using one-way and two-way ANOVA, Tukey’s (p < 0.05).The adhesive formulations with 1%, 5% and 10% MAPAs-1, -2, -3 all generated higher rate of polymerization and 10-min DC than the formulations with PA at the same concentrations At 72 h post-cure, the adhesive formulation with 5% MAPA-2 exhibited significantly higher DC (99.40%) and more than doubled MH (18.93) values than the formulation with 5% PA (DC = 89.47%, MH = 8.41) and the control (DC = 95.46%, MH = 9.33). Moreover, the cured adhesive with 5% MAPA-2 demonstrated significantly reduced PA leaching in comparison with cured adhesive with 5% PA.Synthesized MAPA is a novel class of polymerizable collagen crosslinker that not only stabilizes dentin collagen via its PA component, but also improves polymerization, mech. properties and stability of HEMA-based adhesives via its MA component. By inheriting the benefit while overcoming the drawback of PA, MAPA offers a revolutionary solution for improved bond-strength and longevity of dental restorations.

Dental Materials published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C14H14, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Gao, Min’s team published research in Organic Letters in 24 | CAS: 617-52-7

Organic Letters published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Category: esters-buliding-blocks.

Gao, Min published the artcilePhase-Transfer-Catalyzed Asymmetric Annulations of Alkyl Dihalides with Oxindoles: Unified Access to Chiral Spirocarbocyclic Oxindoles, Category: esters-buliding-blocks, the publication is Organic Letters (2022), 24(3), 875-880, database is CAplus and MEDLINE.

A general phase-transfer-catalyzed asym. (n+1) (n = 4 or 5) annulation reaction, featuring the direct coupling of simple oxindoles I (R1 = H, 5-Me, 6-OMe, 6-Cl, etc.) with alkyl dihalides R2(R3)C=C(CH2I)(CH2)2I (R2 = R3 = H, Me, Et, Ph n-pentyl; R2R3 = -(CH2)5) and e.g., 1-(2-iodoethyl)-2-(iodomethyl)benzene that are allylic/benzylic and non-allylic/benzylic, has been developed to provide previously inaccessible cyclopentane- II and III and cyclohexane-fused spirooxindole IV (R4 = H, 6,7-(OMe)2, 6-Cl) scaffolds with high yields and enantioselectivities (88-95% ee). Along with a broad scope and mild conditions, the new protocol also enables a two-step and gram-scale synthesis of the core of the drug ubrogepant.

Organic Letters published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Huang, Yahui’s team published research in Archiv der Pharmazie (Weinheim, Germany) in 351 | CAS: 1877-71-0

Archiv der Pharmazie (Weinheim, Germany) published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H8O4, Computed Properties of 1877-71-0.

Huang, Yahui published the artcileIdentification of pyrazolopyridine derivatives as novel spleen tyrosine kinase inhibitors, Computed Properties of 1877-71-0, the publication is Archiv der Pharmazie (Weinheim, Germany) (2018), 351(8), n/a, database is CAplus and MEDLINE.

Inhibition of spleen tyrosine kinase (Syk) is a promising strategy for the treatment of various allergic and autoimmune disorders such as asthma, rheumatoid arthritis, and allergic rhinitis. Previously, a Syk inhibitor with novel indazole scaffold was discovered by structure-based virtual screening. Herein, the structure-activity relationship of the indazole Syk inhibitors was investigated. Several new inhibitors demonstrated potent activity against Syk. In particular, compound 18c showed good Syk inhibitory activity (IC50 = 1.2 μM), representing a good lead compound for further optimization.

Archiv der Pharmazie (Weinheim, Germany) published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H8O4, Computed Properties of 1877-71-0.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Li, Shuailong’s team published research in Organic Letters in 22 | CAS: 617-52-7

Organic Letters published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Category: esters-buliding-blocks.

Li, Shuailong published the artcileRhodium-Catalyzed Enantioselective Anti-Markovnikov Hydroformylation of α-Substituted Acryl Acid Derivatives, Category: esters-buliding-blocks, the publication is Organic Letters (2020), 22(3), 1108-1112, database is CAplus and MEDLINE.

Rhodium-catalyzed asym. anti-Markovnikov hydroformylation of α-substituted acrylates/acrylamides has been developed. By employing the Rh/(S,S)-DTBM-YanPhos complex, a series of β-chiral linear aldehydes were obtained in high yields (up to 94% yield) and high enantioselectivities (up to 96% ee). The utility of this methodol. is demonstrated by a gram-scale reaction and a concise synthetic route to chiral γ-butyrolactone.

Organic Letters published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Sun, Ye-zhi’s team published research in Medicinal Chemistry Research in 18 | CAS: 5205-11-8

Medicinal Chemistry Research published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C10H13NO2, Application of 3-Methylbut-2-en-1-yl benzoate.

Sun, Ye-zhi published the artcileStudy on the quantitative structure-toxicity relationships of benzoic acid derivatives in rats via oral LD50, Application of 3-Methylbut-2-en-1-yl benzoate, the publication is Medicinal Chemistry Research (2009), 18(9), 712-724, database is CAplus.

Quant. structure-toxicity relationship (QSTR) studies play an important role in toxicity forecasting, which is widely used in the study of modern compounds Benzoic acid derivatives are an important type of organic chems. Most of them may cause serious public health and environmental problems. The effect of quantum-chem. parameters on the toxicity of benzoic acid derivatives in rats via oral 50% LD (LD50) was studied by QSTR, and a model to predict the toxicity of benzoic acid derivatives was constructed. In order to obtain an accurate model, cross factors were considered and a model for predicting the toxicity of benzoic acid derivatives in rats via oral LD50 was built using a linear regression method (correlation 0.990). The novel model is -logtoxi = 0.144 LogP -0.0269SAG + 0.0000127HoF – 0.000377PE, R2 = 0.990, C(p) = 4.000, mean square error (MSE) = 0.785. The model demonstrated good forecasting ability.

Medicinal Chemistry Research published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C10H13NO2, Application of 3-Methylbut-2-en-1-yl benzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics