Tag: M.W=100-150

Bentley, Mark C. published the artcileComprehensive chemical characterization of the aerosol generated by a heated tobacco product by untargeted screening, SDS of cas: 517-23-7, the publication is Analytical and Bioanalytical Chemistry (2020), 412(11), 2675-2685, database is CAplus and MEDLINE.

Abstract: A suite of untargeted methods has been applied for the characterization of aerosol from the Tobacco Heating System 2.2 (THS2.2), a heated tobacco product developed by Philip Morris Products S.A. and commercialized under the brand name IQOS. A total of 529 chem. constituents, excluding water, glycerin, and nicotine, were present in the mainstream aerosol of THS2.2, generated by following the Health Canada intense smoking regimen, at concentrations ≥ 100 ng/item. The majority were present in the particulate phase (n = 402), representing more than 80% of the total mass determined by untargeted screening; a proportion were present in both particulate and gas-vapor phases (39 compounds). The identities for 80% of all chem. constituents (representing > 96% of the total determined mass) were confirmed by the use of authentic anal. reference materials. Despite the uncertainties that are recognized to be associated with aerosol-based untargeted approaches, the reported data remain indicative that the uncharacterized fraction of TPM generated by THS2.2 has been evaluated to the fullest practicable extent. To the best of our knowledge, this work represents the most comprehensive chem. characterization of a heated tobacco aerosol to date.

Analytical and Bioanalytical Chemistry published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, SDS of cas: 517-23-7.

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

Al-Taweel, Samir A. published the artcilePalladium-catalyzed amination of 2-chlorothienopyridone with primary aromatic amines, SDS of cas: 924-99-2, the publication is Cogent Chemistry (2019), 5(1), 1567894/1-1567894/12, database is CAplus.

A series of Et 7-cyclopropyl-2-(arylamino)-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylates I (R¹ = H; R² = H, Me, F etc,) were prepared by coupling of Et 7-cyclopropyl-2-chloro-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate with primary aromatic amines via palladium-catalyzed amination using palladium acetate Pd(OAc)₂ in the presence of cesium fluoride in good yields. 7-Cyclopropyl-2-(phenylamino)-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid showed weak activity against E.aerogenas and S.aureus bacteria.

Cogent Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, SDS of cas: 924-99-2.

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

O’Shea, Timothy M. published the artcileSynthesis and characterization of a library of in-situ curing, nonswelling ethoxylated polyol thiol-ene hydrogels for tailorable macromolecule delivery, Recommanded Product: Ethyl 2-mercaptopropanoate, the publication is Advanced Materials (Weinheim, Germany) (2015), 27(1), 65-72, database is CAplus and MEDLINE.

The authors synthesized a library of different tri-thiol-functionalized ethoxylated polyol esters (TEPEs) and combined these with different mol. weight PEG diacrylates (PEGDA) to form a library of hydrogels with diverse physicochem. properties. To synthesize the TEPEs a transesterification reaction was performed between an ethoxylated polyol and excess of an Et ester of a thiol acid using Candida antarctica Lipase B (CALB)-immobilized on acrylic resin as a catalyst.

Advanced Materials (Weinheim, Germany) published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Recommanded Product: Ethyl 2-mercaptopropanoate.

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

Katritzky, Alan R. published the artcileStructural assignment of regioisomeric 3-[2- or 5-anilino-2-(alkylamino)phenyl]propanoic acids, 2H-1,4-benzothiazin-3(4H)-ones and 2,3-dihydro-1,5-benzothiazepin-4(5H)-ones by 1D NOE and gHMBC NMR techniques, Product Details of C5H10O2S, the publication is Magnetic Resonance in Chemistry (2004), 42(7), 648-658, database is CAplus and MEDLINE.

The ¹H and ¹³C NMR spectra of compounds 1-11 and 16-22 in CDCl₃ and DMSO-d₆ solutions allowed structural assignment to regioisomers 1/5 and 2/6 and their regioselective cyclization products 16-18 utilizing one- and two-dimensional NMR techniques (APT, DEPT, NOE difference, COSY, NOESY, HETCOR and gHMQC, gHMBC). Temperature-dependent ¹H NMR spectra of 8-anilino-5-(4-methyl-2-pentyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (18) indicated a free energy of activation (ΔG^‡) of ca 17 kcal mol^-1 for interconversion between rotamers. The ¹H and ¹³C NMR spectra of 20 and 22 containing two chiral centers exhibit duplication of several signals, indicating the existence of two diastereomeric forms. The structure of 4 was unambiguously confirmed by x-ray crystallog.

Magnetic Resonance in Chemistry published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Product Details of C5H10O2S.

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

Cahiez, Gerard published the artcileCopper-catalyzed conjugate addition of organomagnesium reagents to α,β-ethylenic esters: a simple high yield procedure, Category: esters-buliding-blocks, the publication is Tetrahedron Letters (1990), 31(51), 7425-8, database is CAplus.

The 1,4-conjugate addition reaction of Et α,β-unsaturated carboxylates RR¹C:CO₂Et (R = H, Me; R¹ = Me, Ph, Pr, Me₂CH) to R²MgCl (R² = Me, Bu, Me₃C, Me₂CH, Ph, MeCH:CH, CH₂:CHCH₂) in the presence of CuCl and Me₃SiCl gave branched Et carboxylates RR¹R²CCH₂CO₂Et (same R-R³). The reaction of (E)-MeCH:CHCO₂Et with BuMgCl in the presence CuCl and MeSiCl₃ was also efficient.

Tetrahedron Letters published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Category: esters-buliding-blocks.

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

Alexeev, S. G. published the artcileCorrelation of fire hazard characteristics with chemical structure. X. esters (part 2), SDS of cas: 5340-78-3, the publication is Pozharovzryvobezopasnost (2013), 22(5), 9-19, database is CAplus.

The correlation of chem. structure and fire-dangerous properties is studied among aliphatic esters of isostructure. The carbon rule well works for these compounds It is allowed to predict their physicochem. and fire-dangerous indexes. Travel of the ester group along a hydrocarbon chain practically does not lead to change of the physicochem. and fire-dangerous properties of esters. The empirical equations of calculation are offered for critical temperature (T_c (K) = -0.46(N_c)² + 27.03(N_c) + 430.1), b.p. (TB (K) = – 0.379(N_c)² + 26.448(N_c) + 254), flash point (FP (K) = -0.3107(N_c)² + 17.475(N_c) + 206.4; FP (°C) = -0.627TB (°C) – 50.4); fire (ignition) temperature (FT (K) = 13.65(N_c) + 227.6), low and upper temperature explosive limits (LTEL (K) = 13.54(N_c) + 215, UTEL = 16(N_c) + 236.2), low and upper explosive limits (LTEL (%) = 10.472(N_c)^-1.1297, UEL (%) = 1.16 + 43.051/(N_c)), combustion heat (Q (kJ/mol) = 606.2(N_c) – 321.6) and critical pressure (P_c (atm) = -10.486 + 99.243/(N_c)^0.5) from the conventional hydrocarbon chain (N_c) in an ester mol.

Pozharovzryvobezopasnost published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, SDS of cas: 5340-78-3.

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

El-Hefnawy, Mohamed E. published the artcileEndogenous bioethanol production by solid-state prefermentation for enhanced crude bio-oil recovery through integrated hydrothermal liquefaction of seaweeds, Synthetic Route of 30414-53-0, the publication is Journal of Cleaner Production (2022), 131811, database is CAplus.

The present study evaluated the action of endogenous bioethanol produced during solid-state fermentation of Ulva spp. on subsequent hydrothermal liquefaction (HTL). HTL of raw biomass (RB) was compared with HTL of the fermented biomass after bioethanol separation (F-Aqua) and HTL of the whole fermentation broth containing the bioethanol (F-Eth). Optimization of fermentation conditions increased the ethanol yield efficiency (Y_eff) and specific ethanol yield (SEY) from 23.55% and 0.120 g g^-1 sugar consumed to 43.97% and 0.224 g g^-1 sugar consumed, resp. TGA and FTIR anal. confirmed noticeable changes in the thermal profile and functional groups of the fermented residue with increased volatiles and lower ash content. Among different HTL treatments, F-Eth showed the highest bio-oil yield of 24.96% at 250°C, which was 37.7% and 39.0% higher than that of RB and F-Aqua, resp. In addition, hydrocarbons and esters in the bio-oil represented the dominant compounds in F-Aqua and F-Eth, altogether 28.28% and 68.58%, resp., compared to 17.96% in RB. Economic anal. for a proposed 100 ton year^-1 plant confirmed that HTL of the whole fermentation broth containing endogenous bioethanol enhanced the gross energy output to 8.152 GJ ton^-1, which represented 4.2-time, 51.1%, and 23.3% higher than individual bioethanol production, individual bio-oil production, and sequential bioethanol/bio-oil recovery, with the highest net annual profit of 29553 US$ compared to 23391 US$ for the sequential production

Journal of Cleaner Production published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Synthetic Route of 30414-53-0.

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

El-Essawy, Farag A. published the artcileSynthesis and Anti-HIV Activity of Poly-Heterocyclic Compounds Containing Quinoline Moiety, Application of 3-Acetyldihydrofuran-2(3H)-one, the publication is Russian Journal of General Chemistry (2022), 92(6), 1129-1136, database is CAplus.

A novel series of poly-heterocyclic compounds containing quinoline as antiviral agents against HIV was designed and synthesized. Structures of these novel derivatives was confirmed by IR, NMR, and EI-MS spectra. Most of the products was tested for their HIV inhibitory activity and characterized by high to moderate activity.

Russian Journal of General Chemistry published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Application of 3-Acetyldihydrofuran-2(3H)-one.

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

Al-Hiari, Yusuf M. published the artcileSynthesis and antibacterial properties of new 8-nitrofluoroquinolone derivatives, Related Products of esters-buliding-blocks, the publication is Molecules (2007), 12(6), 1240-1258, database is CAplus and MEDLINE.

A series of new 8-nitrofluoroquinolone derivatives has been prepared to study their antibacterial properties. The work initially involved large scale preparation of the synthon 7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid followed by introduction of substituted primary amine appendages at the C-7 position to give amino derivatives, e.g., I (R = H, Me, Cl), using anilines, 2-aminopyridines, and other primary amines. This nucleophilic aromatic substitution step was a very simple procedure since the 8-nitro group of the above synthon facilitated the addition of weak nucleophiles at C-7. The prepared targets and the intermediates have shown interesting antibacterial activity against gram pos. and/or gram neg. strains. In particular, the p-toluidine, p-chloroaniline and aniline derivatives showed good activity against S. aureus with MIC range ≈ 2-5 μg/mL. In conclusion, more lipophilic groups seem to enhance activity against gram pos. strains.

Molecules published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Related Products of esters-buliding-blocks.

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

Al-Qawasmeh, Raed A. published the artcileDesign, synthesis and antibacterial activity studies of new thiadiazoloquinolone compounds, Recommanded Product: Ethyl 3-(dimethylamino)acrylate, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2014), 29(6), 777-785, database is CAplus and MEDLINE.

New 9-(alkyl/aryl)-4-fluoro-6-oxo-[1,2,5]thiadiazolo[3,4-h]quinoline-5-carboxylic acids I [R = Et, C₆H₅, 4-FC₆H₄, 4-MeOC₆H₄; R¹ = H] and their esters I [R¹ = Me, Et] were designed and synthesized. A detailed discussion of the reactions utilized in the preparation of the intermediates and target compounds was reported. All the intermediates and the final acids and esters were tested against bacterial and fungal strains. Among the tested compounds, the carboxylic acid derivatives I [R = Et, 4-FC₆H₄; R¹ = H] proved to be very active against Gram pos. and Gram neg. bacteria with MIC 0.15-3 μg/mL. The structure-activity relationship of antibacterial thiadiazoloquinolones showed that carboxylic acid derivatives I [R = Et, 4-FC₆H₄; R¹ = H] are twice less potent than the corresponding cyclopropyl derivative I [R = cyclopropyl; R¹ = H]. Therefore, the cyclopropyl moiety on N-9 of thiadiazoloquinolone seems to be the most suitable substituent.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Recommanded Product: Ethyl 3-(dimethylamino)acrylate.

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