Tag: M.W=100-150

Teng, Shuang published the artcileTogni-II Reagent Mediated Selective Hydrotrifluoromethylation and Hydrothiolation of Alkenes, Category: esters-buliding-blocks, the publication is Chinese Journal of Chemistry (2021), 39(12), 3429-3434, database is CAplus.

Based on the redox reactions of Togni-II reagent and thiols (such as propane-2-thiol, cyclohexanethiol, dodecan-1-thiol, p-toluenethiol, etc.), a thiol-tuned selective functionalization of unactivated olefins was disclosed. In combination with aryl thiol (p-toluenethiol), stoichiometric amount of Togni-II reagent prompted a hydrotrifluoromethylation of alkenes (such as N-allyl-benzamide, 1-phenyl-but-3-en-1-ol, 4-chloro-benzoic acid pent-4-enyl ester, etc.), in which, aryl thiol played as reductant and hydrogen source; while by utilization of alkyl thiols (such as propane-2-thiol, cyclohexanethiol, dodecan-1-thiol, etc.), catalytic amount of Togni-II reagent initiated thiol-ene and thiol-yne reactions. The reported applications are characterized by their operational simplicity and wide functional group tolerance.

Chinese Journal of 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 C14H19NO8, Category: esters-buliding-blocks.

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

Simkin, B. Ya. published the artcileElectronic structure of some α,ω-functionally substituted polyenes, Application In Synthesis of 924-99-2, the publication is Journal of Molecular Structure (1974), 22(2), 193-200, database is CAplus.

The Pariser-Parr-Pople SCF method is applied to the calculation of Me2N(CH:CH)nCHO (I), Me2N(CH:CH)nCO2Et (II), and EtO2C(CH:CH)nCHO (III) using alternating bond length (ABL) constant bond length (CBL) models. Spectral behavior of I or II is satisfactorily described by the ABL (βvar) and CBL models. Large bathochromic shifts of absorption bands of I and II, observed when the polyene chain is lengthened cannot be explained by the ABL (βconst) model. Neither model can account for the increase of dipole moment of I and II with increasing n. Long wave transition energies and dipole moments of III calculated using the ABL (βvar) and CBL (βvar or βconst) models are close to the exptl. values. The application of both models leads to bond alternation in I,II, and III. The alternation of bonds decreases in the 1st excited state.

Journal of Molecular Structure 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 C7H7ClN2, Application In Synthesis of 924-99-2.

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

Kappe, Thomas published the artcileA new modification of the Pechmann reaction, Synthetic Route of 924-99-2, the publication is Synthesis (1981), 524-6, database is CAplus.

Hydroxylated coumarin and quinolinone derivatives I (Z = O, NH, NMe; R = H, Me) reacted with β-oxo esters and NH₄OAc to yield the resp. fused pyrans II [R¹ = H, PhCH₂; R² = Me, H, Ph, CH₂CO₂Et; and R¹R² = (CH₂)₄]. I (Z = NH, R = H) was heated with MeCOCH₂CO₂Et and NH₄OAc at 185° to give II (Z = NH, R = R¹ = H, R² = Me). Some II were also prepared from I and 3-amino-2-alkenoate esters.

Synthesis 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, Synthetic Route of 924-99-2.

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

Guo, Xingwei published the artcileManifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone, Name: Ethyl 3-(dimethylamino)acrylate, the publication is Journal of the American Chemical Society (2013), 135(33), 12377-12387, database is CAplus and MEDLINE.

Reactions of 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) with silyl enol ethers, silyl ketene acetals, allylsilanes, enamino esters, and diazomethanes have been studied in CH₃CN and CH₂Cl₂ solutions The second-order rate constants for C attack at DDQ (log k_C) correlate linearly with the nucleophile-specific parameters N and s_N and are 2-5 orders of magnitude larger than expected for SET processes, which strongly supports the polar mechanism for C-C bond formation. The second-order rate constants for O attack agree well with the calculated rate constants for rate-determining single electron transfer (SET). As a radical clock experiment ruled out outer sphere electron transfer, an inner sphere electron transfer mechanism is suggested for O attack.

Journal of the American Chemical Society 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, Name: Ethyl 3-(dimethylamino)acrylate.

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

Abel, Brooks A. published the artcile“One-Pot” Aminolysis/Thiol-Maleimide End-Group Functionalization of RAFT Polymers: Identifying and Preventing Michael Addition Side Reactions, Product Details of C5H10O2S, the publication is Macromolecules (Washington, DC, United States) (2016), 49(17), 6193-6202, database is CAplus.

We show that many of the nucleophiles (catalysts, reducing agents, amines, thiols) present during “one-pot” aminolysis/thiol-maleimide end-group functionalization of RAFT polymers can promote side reactions that substantially reduce polymer end-group functionalization efficiencies. The nucleophilic catalyst 1,8-diazabicyclo[5.4.0]undec-7-ene and the reducing agent tributylphosphine were shown to initiate anionic polymerization of N-methylmaleimide (NMM) in both polar and nonpolar solvents whereas hexylamine-initiated polymerization of NMM occurred only in high-polarity solvents. Furthermore, triethylamine-catalyzed Michael reactions of the representative thiol Et 2-mercaptopropionate (E2MP) and NMM in polar solvents resulted in anionic maleimide polymerization when [NMM]₀ > [E2MP]₀. Base-catalyzed enolate formation on the α-carbon of thiol-maleimide adducts was also shown as an alternative initiation pathway for maleimide polymerization in polar solvents. Ultimately, optimal “one-pot” reaction conditions were identified allowing for up to 99% maleimide end-group functionalization of dithiobenzoate-terminated poly(N,N-dimethylacrylamide). Much of the work described herein can also be used to ensure near-quant. conversion of small mol. thiol-maleimide reactions while preventing previously unforeseen side reactions.

Macromolecules (Washington, DC, United States) 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

Pirkle, William H. published the artcileAn improved chiral stationary phase for the facile separation of enantiomers, Category: esters-buliding-blocks, the publication is Journal of Chromatography (1988), 441(2), 311-22, database is CAplus.

A chiral stationary phase (CSP) derived from cis-3-(1,1-dimethylethyl)-4-phenyl-2-azetidinone is quite effective for the chromatog. separation of the enantiomers of a variety of compounds This CSP has two stereogenic centers. For many enantiomers, it exhibits superior performance to that of a widely used phenylglycine-derived CSP.

Journal of Chromatography 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

Roberts, David C. published the artcileAcetoacetic ester condensation. XI. The extent of the condensation of certain monosubstituted acetic esters, HPLC of Formula: 5340-78-3, the publication is Journal of the American Chemical Society (1937), 2007-8, database is CAplus.

cf. C. A. 29, 6212.5. With 0.4 mol. EtONa and 2.4 mols. of ester, the following yields of RCH₂COCHRCO₂Et were obtained (at 95° except for R = H (78°)): R = H, 75-6% (based on EtONa); Me, 46-7; Et, 40-2; Pr, 34-35; Me₂CH and Me₃C, 0; Ph 53-5. Thus, the substitution of a normal alkyl group for one of the Me-H atoms of AcOEt progressively lowered the extent of the condensation as the size of the alkyl group increased. Sec. and tert substituents completely prevented the condensation, even under conditions that would allow the reaction to proceed to completion. PhCH₂CO₂Et condensed to a less extent than did AcOEt but to a considerably greater extent than did any of alkyl-substituted esters.

Journal of the American Chemical Society 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, HPLC of Formula: 5340-78-3.

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

Boyle, Sean Michael published the artcileExpanding the olfactory code by in silico decoding of odor-receptor chemical space, Recommanded Product: Ethyl 2-mercaptopropanoate, the publication is eLife (2013), e01120/1-e01120/17, 17 pp., database is CAplus and MEDLINE.

Coding of information in the peripheral olfactory system depends on two fundamental factors: interaction of individual odors with subsets of the odorant receptor repertoire and mode of signaling that an individual receptor-odor interaction elicits, activation or inhibition. We develop a cheminformatics pipeline that predicts receptor-odorant interactions from a large collection of chem. structures (>240,000) for receptors that have been tested to a smaller panel of odorants (∼100). Using a computational approach, we first identify shared structural features from known ligands of individual receptors. We then use these features to screen in silico new candidate ligands from >240,000 potential volatiles for several Odorant receptors (Ors) in the Drosophila antenna. Functional experiments from 9 Ors support a high success rate (∼71%) for the screen, resulting in identification of numerous new activators and inhibitors. Such computational prediction of receptor-odor interactions has the potential to enable systems level anal. of olfactory receptor repertoires in organisms.

eLife 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

Marchand, Patrice published the artcileSynthesis and characterization of diaminodithio- and aminotrithiophosphoric acid esters, HPLC of Formula: 19788-49-9, the publication is Phosphorus, Sulfur and Silicon and the Related Elements (2007), 182(6), 1233-1244, database is CAplus.

The synthesis and characterization of a series of five new diaminodithiophosphoric acid esters (R¹R²N)₂P(S)SR and five new aminotrithiophosphoric acid esters (R¹R²N)P(S)(SR)₂ are described. The structure of two of these compounds, the diaminodithio derivative (iPr₂N)₂P(S)SCH₂Ph and the aminotrithio derivative (iPr₂N)P(S)(SCH₂Ph)₂, has been determined by single crystal X-ray diffraction. These series of compounds are potentially usable as agents for reversible addition-fragmentation chain transfer polymerization

Phosphorus, Sulfur and Silicon and the Related Elements 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, HPLC of Formula: 19788-49-9.

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

Tabarrini, Oriana published the artcileStructural Investigation of the Naphthyridone Scaffold: Identification of a 1,6-Naphthyridone Derivative with Potent and Selective Anti-HIV Activity, Application In Synthesis of 924-99-2, the publication is ChemMedChem (2011), 6(7), 1249-1257, database is CAplus and MEDLINE.

Building upon a large, previously reported series of anti-HIV 6-desfluoroquinolones endowed with a peculiar mechanism of action, the inhibition of Tat-mediated transcription, replacement of the quinolone nucleus with a naphthyridone core was shown to be very productive. In this work, the naphthyridone scaffold was investigated in depth by synthesizing various analogs. This led to the identification of NM13 as the most selective derivative obtained in MT-4 cells. It is the result of the successful combination of the 1,6-naphthyridone nucleus and the C7 benzothiazolpiperazine group, which, for the first time, not only grants potent anti-HIV activity but displays very high selectivity. Further studies aimed at a more thorough investigation of the anti-HIV profile of this new derivative are in progress.

ChemMedChem 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 C12H13NO3, Application In Synthesis of 924-99-2.

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