Month: November 2022

Buckle, F. J.; Pattison, F. L. M.; Saunders, B. C. published the artcile< Toxic fluorine compounds containing the CF link. VI. ω-Fluorocarboxylic acids and derivatives>, Category: esters-buliding-blocks, the main research area is .

AgF (34 g.), slowly added to I(CH2)4CO2Et (preparation given) with shaking and heated 20 min. at 45-50°, gives 1.5 cc. Et δ-fluorovalerate, b16 56-60°, completely nontoxic. In the preparation of 5-hydroxypentanecarboxylic acid from cyclohexanone by the method of Robinson and Smith (C.A. 31, 5351.9), the solid (m. 130°) which is formed is probably dicyclohexylidene peroxide. Br(CH2)5CO2Et (10 g.) and 11.4 g. AgF, heated 30 min. at 50°, give 27% Et 5-fluoropentanecarboxylate, b14 82-4°, LD50 4 mg./kg. Br(CH2)5CO2H (38 g.), 30 g. FCH2CH2OH, and 2.5 g. H2SO4, heated 5-6 hrs. at 120°, give 53% of the 2-fluoroethyl ester, b13 142°; with Ag2F (15 min. at room temperature and 1 hr. at 40°) it yields 2-fluoroethyl 5-fluoropentanecarboxylate, b14 103-5°, LD50 2.5 mg./kg. (CH2)6Br2 (244 g.) and 77 g. PhOH in 400 cc. H2O, treated at the b.p. with 106 cc. 30% NaOH (20 min.) and refluxed 8 hrs., give 79% 6-phenoxyhexyl bromide, b13 174-80°; with CHNa(CO2Et)2 in EtOH, it yields 51% of the Et ester, b. 155-8°/2 × 10-3 mm., of (6-phenoxyhexyl)malonic acid, m. 162-3° (decomposition); at 230°, this yields 58% 7-phenoxyheptanecarboxylic acid (I), m. 69-70°. I (5 g.) and 20 cc. HI (d. 1.7), heated 6 hrs. at 160-70°, give 70% 7-iodoheptanecarboxylic acid (II), m. 43-4°; Et ester (III), b1 114°. III (10.2 g.), treated slowly with 9.7 g. AgF, gives 0.2 g. Et 7-fluoroheptanecarboxylate, b. 191°, LD50 9 mg./kg. (in the preparation of the ester, there is formed some Et 6-heptenecarboxylate, which was transformed into the dibromide to increase the b.p.; a special apparatus is described for the purification). II (13 g.), 110 g. FCH2CH2OH, and 5.5 g. concentrated H2SO4, refluxed 6 hrs., give 62.5% of the 2-fluoroethyl ester, b0.8 122-4°; AgF gives 21% 2-fluoroethyl 7-fluoroheptanecarboxylate, b13 128-30°, fruitlike odor, L.D50 7 mg./kg. Br(CH2)9CO2H (IV) (preparation given) yields 72% of the Et ester, b10 162-4°; AgF gives 20% Et 9-fluorononanecarboxylate (V), b10 135-8°, LD50 10 mg./kg. The 2-fluoroethyl ester of IV b11 184-8°; AgF gives 17% of the 2-fluoroethyl ester of V, b12 145-9°, LD50 10 mg./kg. Et l0-bromodecanecarboxylate, b0.15 137°, 81%; Et 10-fluorodecanecarboxylate, b11 140-1°, 19%; LD50 above 100 mg./kg. 10-Bromodecanecarbonyl chloride, b10 174-5°, 83%; CH2N2 gives 98% 10-bromo-1-diazoacetyldecane (VI), yellow, m. about 30°; 12.5 g. VI in 100 cc. dioxane, treated with 30 g. 20% aqueous NH4OH and 6 cc. 10% AgNO3, gives 49% 11-bromohendecanecarboxamide (VII), m. 105°. VII (3.5 g.), 20 cc. EtOH, and 6 cc. concentrated H2SO4, refluxed 10 hrs., give 47% Et 11-bromohendecanecarboxylate, b. 127°/9 × 10-3 mm.; with AgF, this gives 12% of the II-F analog, b11 152-3°, LD50 less than 20 mg./kg. In compounds of the type F(CH2)nCO2R, it has been established that if n is odd, the compound is toxic and causes fluoroacetate-like symptoms in animals; if n is even, no such toxic properties are shown. This remarkable alternation of properties is discussed in the light of the β-oxidation theory of long-chain carboxylic acids. This theory does not, however, account for all the facts observed. The toxicity is often greatly enhanced if R = CH2CH2F, compared with R = Me or Et. This difference is less obvious when the chain is long (n = 7) and is negligible when n = 9.

Journal of the Chemical Society published new progress about Acids. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kim, DaWon; Lee, Jeong Hwa; Kim, Hye Yun; Shin, Jisu; Kim, Kyeonghwan; Lee, Sejin; Park, Jinwoo; Kim, JinIkyon; Kim, YoungSoo published the artcile< Fluorescent indolizine derivative YI-13 detects amyloid-β monomers, dimers, and plaques in the brain of 5XFAD Alzheimer transgenic mouse model>, Application of C8H9NO3, the main research area is alzheimer disease brain amyloid beta.

Alzheimer disease (AD) is a neurodegenerative disorder characterized by the aberrant production and accumulation of amyloid-β (Aβ) peptides in the brain. Accumulated Aβ in soluble oligomer and insoluble plaque forms are considered to be a pathol. culprit and biomarker of the disorder. Here, we report a fluorescent universal Aβ-indicator YI-13, 5-(4-fluorobenzoyl)-7,8-dihydropyrrolo[1,2-b]isoquinolin-9(6H)-one, which detects Aβ monomers, dimers, and plaques. We synthesized a library of 26 fluorescence chems. with the indolizine core and screen them through a series of in vitro tests utilizing Aβ as a target and YI-13 was selected as the final imaging candidate. YI-13 was found to stain and visualize insoluble Aβ plaques in the brain tissue, of a transgenic mouse model with five familial AD mutations (5XFAD), by a histochem. approach and to label soluble Aβ oligomers within brain lysates of the mouse model under a fluorescence plate reader. Among oligomers aggregated from monomers and synthetic dimers from chem. conjugated monomers, YI-13 preferred the dimeric Aβ.

PLoS One published new progress about Alzheimer disease. 7126-50-3 belongs to class esters-buliding-blocks, and the molecular formula is C8H9NO3, Application of C8H9NO3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chapman, N. B.; Shorter, J.; Toyne, K. J. published the artcile< Conformation and reactivity. III. Kinetics of the acid-catalyzed hydrolysis of the methyl cyclohexanemono- and -dicarboxylates and 4-tert-butylcyclohexanecarboxylates>, Product Details of C19H34O2, the main research area is .

The acid-catalyzed hydrolysis of Me cyclohexanecarboxylate (in 1:1 and 1:3 dioxane-water), of all the dimethyl and Me H cyclohexanedicarboxylates (in 1:3 dioxane-water), and of Me cis-(I) and trans-4-tert-butylcyclohexanecarboxylate (II) (in 1:1 dioxane-water) has been studied and the Arrhenius activation energies and non-exponential factors have been determined The rate coefficients for the first stage of hydrolysis of the diesters were obtained by using the Wideqvist method (CA 50, 9113b). From the results for I and II an equatorial MeO2C is shown to react 4.8 times more rapidly than an axial MeO2C at 90°. On this basis the results for the other esters are discussed in relation to their possible conformations. The MeO2C group is more stable in the equatorial than in the axial conformation, but the results for acid-catalyzed hydrolysis of the trans 1,2-esters are best explained by assuming that the compound is diaxial. Polar effects in acid-catalyzed hydrolysis of the esters are small. Some of the results obtained by Cavell, et al. (CA 54, 18387e) for the alk. hydrolysis of the esters are discussed in the light of the results for the acid-catalyzed hydrolysis, and an attempt has been made to sep. polar effects from steric effects in alk. hydrolysis.

Journal of the Chemical Society published new progress about Conformation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Shigenobu, Keisuke; Shibata, Masayuki; Dokko, Kaoru; Watanabe, Masayoshi; Fujii, Kenta; Ueno, Kazuhide published the artcile< Anion effects on Li ion transference number and dynamic ion correlations in glyme-Li salt equimolar mixtures>, HPLC of Formula: 112-63-0, the main research area is glyme lithium salt dynamic ion correlation transference equimolar mixture.

To achieve single-ion conducting liquid electrolytes for the rapid charge and discharge of lithium(Li) secondary batteries, improvement in the Li+ transference number of the electrolytes is integral. Few studies have established a feasible design for achieving Li+ transference numbers approaching unity in liquid electrolytes consisting of low-mol.-weight salts and solvents. Previously, we studied the effects of Li+- solvent interactions on the Li+ transference number in glyme- and sulfolane-based molten Li salt solvates and clarified the relationship between this transference number and correlated ion motions. In this study, to deepen our insight into the design principles of single-ion conducting liquid electrolytes, we focused on the effects of Li+-anion interactions on Li ion transport in glyme-Li salt equimolar mixtures with different counter anions. Interestingly, the equimolar triglyme (G3)-lithium trifluoroacetate (Li[TFA]) mixture ([Li(G3)][TFA]) demonstrated a high Li+ transference number, estimated via the potentiostatic polarization method (tPPLi = 0.90). Dynamic ion correlation studies suggested that the high tPPLi could be mainly ascribed to the strongly coupled Li+-anion motions in the electrolytes. Furthermore, high-energy X-ray total scattering measurements combined with all-atom mol. dynamics simulations showed that Li+ ions and [TFA] anions aggregated into ionic clusters with a relatively long-range ion-ordered structure. Therefore, the collective motions of the Li ions and anions in the form of highly aggregated ion clusters, which likely diminish rather than enhance ionic conductivity, play a significant role in achieving high tPPLi in liquid electrolytes. Based on the dynamic ion correlations, a potential design approach is discussed to accomplish single-ion conducting liquid electrolytes with high ionic conductivity

Physical Chemistry Chemical Physics published new progress about Correlation function (dynamic ion). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Boyer, Cyrille; Davis, Thomas P. published the artcile< One- pot synthesis and biofunctionalization of glycopolymers via RAFT polymerization and thiol-ene reactions>, SDS of cas: 71195-85-2, the main research area is one pot synthesis biofunctionalization glycopolymer RAFT polymerization thiol ene.

A modification of a polymeric activated ester with sugar-amines and a simultaneous aminolysis-thiol-ene reaction involving the RAFT end-groups yield biotin functionalized glycopolymer in one-pot.

Chemical Communications (Cambridge, United Kingdom) published new progress about RAFT polymerization. 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, SDS of cas: 71195-85-2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Deussen, Heinz-Josef; Boutton, Carlo; Thorup, Niels; Geisler, Tommy; Hendrickx, Eric; Bechgaard, Klaus; Persoons, Andre; Bjornholm, Thomas published the artcile< New chiral bis(dipolar) 6,6'-disubstituted binaphthol derivatives for second-order nonlinear optics>, Electric Literature of 112-63-0, the main research area is chiral binaphthol naphthodioxepin derivative nonlinear optic; dioxepin dinaphtho chiral derivative nonlinear optic; crystal structure chiral binaphthol derivative; mol structure chiral binaphthol derivative; dipole moment chiral binaphthol derivative; second harmonic generation chiral binaphthol derivative; hyperpolarizability chiral binaphthol derivative; SHG chiral binaphthol derivative; NLO chiral binaphthol derivative; atropisomer chiral binaphthol derivative NLO.

Several chiral mols. with C2 symmetry derived from two geometries of the binaphthol (BN) system substituted with different acceptors have been synthesized in order to study the possibility of producing noncentrosym. crystals formed from these chiral structures. All the mols. possess two equal donor-acceptor (D – A) systems linked together to give a bis(dipolar) V-shaped system. The dihedral angle θ between the two connected D – A systems has been controlled by chem. methods; this leads to distinct changes in the optical spectra of the connected D – A chromophores, primarily changes caused by effective conjugation of the D – A system imposed by conformation constraints. The crystal structure of chiral (S)-2,2′-diethoxy-1,1′-binaphthyl-6,6′-dicarbaldehyde has been elucidated and indicates that the dipoles in the naphthyl moiety within the overall noncentrosym. crystal can cancel out exactly despite the noncentrosymmetry. The crystal structure of racemic 9,14-dicyanodinaphtho[2,1-d:1′,2′-f][1,3]-dioxepin [(±)-I, A = CN] was found to be centrosym. The new compounds were investigated for second-harmonic generation (including BN derivatives reported earlier) by the Kurtz – Perry powder test to evaluate the second-order nonlinear optical (NLO) properties of polycrystalline samples. Although chirality ensures noncentrosym. crystals, only modest (≈ 2-methyl-4-nitroaniline) or no nonlinearities were observed in the powder test. For a representative selection of the mols., the first mol. hyperpolarizabilities βz were shown to be very high [up to 888 × 10-30 esu for II with A = (E)-CH:CH(p-PhCHC(CN)2)] by elec. field induced second harmonic generation (EFISHG) measurements. Synthetic routes are reported for optically pure 6,6′-disubstituted-2,2′-diethoxy-1,1′-binaphthyls [II; A = CN, SO2CH3, (E)-CH:CHSO2CH3, (E)-CH:CH(p-PhCN), (E)-CH:CH(p-PhSO2CH3), (E)-CH:CH(p-PhCH:C(CN)2), (E)-CH:CHCH:C(CN)2] and optically pure 9,14-disubstituted-dinaphtho[2,1-d:1′,2′-f][1,3]dioxepins [I; A = CN (only racemic), SO2CH3, (E)-CH:CH(p-PhCN), (E)-CH:CH(p-PhSO2CH3), (E)-CH:CH(p-PhNO2), (E)-CH:CH(p-PhCH:C(CN)2), (E)-CH:CHCH:C(CN)2].

Chemistry – A European Journal published new progress about Acetals, cyclic Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Agai, Bela; Proszenyak, Agnes; Tarkanyi, Gabor; Vida, Laszlo; Faigl, Ferenc published the artcile< Convenient, benign and scalable synthesis of 2- and 4-substituted benzylpiperidines>, Quality Control of 112-63-0, the main research area is benzylpiperidine preparation carbinol ketone deoxygenation pyridine hydrogenation temperature acidity.

A short, scalable and environmentally benign synthesis of 2- and 4-substituted benzylpiperidines, e.g. I, has been developed. The method is based on the temperature-programmed consecutive deoxygenation and heteroaromatic ring saturation of aryl(pyridin-2-yl)- and aryl(pyridin-4-yl)methanols and aryl(pyridin-4-yl)methanones in the presence of Pd/C catalyst. The crucial roles of the temperature, the acidity and the substrate structure in the change of selectivity have been demonstrated by isolation of several substituted aryl(piperidine)methanols. The carbinols and ketones were prepared from com. available pyridinecarbaldehydes or 4-cyanopyridine and substituted bromobenzenes via organometallic intermediates.

European Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Globisch, Daniel; Lowery, Colin A.; McCague, Karen C.; Janda, Kim D. published the artcile< Uncharacterized 4,5-Dihydroxy-2,3-Pentanedione (DPD) Molecules Revealed Through NMR Spectroscopy: Implications for a Greater Signaling Diversity in Bacterial Species>, Product Details of C19H34O2, the main research area is dihydroxypentanedione DPD NMR spectroscopy signaling bacteria.

The combination of NMR spectroscopy and 4,5-dihydroxy-2,3-pentanedione (DPD) homolog anal. reveals that DPD, a bacterial signaling compound in the autoinducer-2 (AI-2) class, exists as a much more complex structural array of mols. than previously appreciated. This finding suggests the existence of a larger bacterial chem. signaling language than previously thought.

Angewandte Chemie, International Edition published new progress about Molecular structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Xu, Xiaodong; Yuan, Lujie; Gai, Yongkang; Liu, Qingyao; Yin, Lianglan; Jiang, Yaqun; Wang, Yichun; Zhang, Yongxue; Lan, Xiaoli published the artcile< Targeted radiotherapy of pigmented melanoma with 131I-5-IPN>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is pigmented melanoma radiotherapy IPN; Melanin; Melanoma; Picolinamide; Targeted radionuclide therapy.

Purpose: There has been no satisfactory treatment for advanced melanoma until now. Targeted radionuclide therapy (TRNT) may be a promising option for this heretofore lethal disease. Our goal in this study was to synthesize 131I-N-(2-(diethylamino)ethyl)-5-(iodo-131I)picolinamide (131I-5-IPN) and evaluate its therapeutic ability and toxicity as a radioiodinated melanin-targeting therapeutic agent. Methods: The trimethylstannyl precursor was synthesized and labeled with 131I to obtain 131I-5-IPN. The pharmacokinetics of 131I-5-IPN was evaluated through SPECT imaging, and its biodistribution was assessed in B16F10 tumor models and in A375 human-to-mouse xenografts. For TRNT, B16F10 melanoma-bearing mice were randomly allocated to receive one of five treatments (n = 10 per group): group A (the control group) received 0.1 mL saline; group B was treated with an equimolar dose of unlabeled precursor; group C received 18.5 MBq of [131I]NaI; group D and E received one or two dose of 18.5 MBq 131I-5-IPN, resp. TRNT efficacy was evaluated through tumor volume measurement and biol. study. The toxic effects of 131I-5-IPN on vital organs were assessed with laboratory tests and histopathol. examination The radiation absorbed dose to vital organs was estimated based on biodistribution data. Results:131I-5-IPN was successfully prepared with a good radiochem. yield (55% ± 5%, n = 5), and it exhibited a high uptake ratio in melanin-pos. B16F10 cells which indicating high specificity. SPECT imaging and biodistribution of 131I-5-IPN showed lasting high tumor uptake in pigmented B16F10 models for 72 h. TRNT with 131I-5-IPN led to a significant anti-tumor effect and Groups D and E displayed an extended median survival compared to groups A, B, and C. The highest absorbed dose to a vital organ was 0.25 mSv/MBq to the liver; no obvious injury to the liver or kidneys was observed during treatment. 131I-5-IPN treatment was associated with reduction of expression of proliferating cell nuclear antigen (PCNA) and Ki67 and cell cycle blockage in G2/M phase in tumor tissues. Decreased vascular endothelial growth factor and CD31 expression, implying reduced tumor growth, was noted after TRNT. Conclusion: We successfully synthesized 131I-5-IPN, which presents long-time retention in melanotic melanoma. TRNT with 131I-5-IPN has the potential to be a safe and effective strategy for management of pigmented melanoma.

Journal of Experimental & Clinical Cancer Research published new progress about Antiproliferative agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Niu, Teng-fei; Li, Liang; Ni, Bang-qing; Bu, Mei-jie; Cai, Chun; Jiang, Hui-liang published the artcile< Visible-Light-Induced Meerwein Cascade Reactions for the Preparation of α-Aryl Esters>, Application In Synthesis of 30095-98-8, the main research area is alpha aryl ester preparation visible light induced Meerwein cascade; oxindole preparation cascade reaction mol oxygen oxidant.

A practical strategy has been developed for preparation of α-aryl ester derivatives by using a visible-light-induced Meerwein cascade reaction. This method uses mol. oxygen as an oxidant at room temperature without the need of hazardous reagents or harsh reaction conditions and provides a straightforward approach to pharmaceutically and synthetically useful α-aryl esters in moderate to good yields from simple and readily available starting materials. Oxindoles were also prepared by this protocol.

European Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, Application In Synthesis of 30095-98-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics