Tag: M.W=150-200

Lefebvre, Olivier published the artcileMixed organofluorine-organosilicon chemistry. 10. Allylation and benzylation of difluoroenoxysilanes. Application to the synthesis of gem-difluoroterpene analogues, Computed Properties of 5205-11-8, the publication is Tetrahedron (1999), 55(23), 7233-7242, database is CAplus.

Acylsilane and trifluoromethyltrimethylsilane gave, under fluoride initiation, a difluoroenoxysilane which is used in situ in a Lewis acid catalyzed coupling with a prenyl ester or a benzylic bromide. The advantage of this one-pot procedure was illustrated by its use in the synthesis of gem-difluoro analogs of terpenes (dehydro-ar-curcumene and ar-turmerone).

Tetrahedron 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 C12H14O2, Computed Properties of 5205-11-8.

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

Anadon, Arturo published the artcileScientific opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is EFSA Journal (2011), 9(7), 2176, 136 pp., database is CAplus.

The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to consider in this revision 3 of Flavouring Group Evaluation 20, the SCF Opinion on benzoic acid. Furthermore information on stereoisomeric composition for two substances [FL-no: 06.104 and 09.570] and new information to support the re-allocation of the structural class for the candidate substance piperonyl alc. [FL-no: 02.205] has been submitted. The 41 flavouring substances in Flavouring Group Evaluation 20 were evaluated using the Procedure in Commission Regulation (EC) No 1565/2000. None of the substances were considered to have genotoxic potential. The substances were evaluated through a stepwise approach (the Procedure) that integrates information on structure-activity relationships, intake from current uses, toxicol. threshold of concern, and available data on metabolism and toxicity. The Panel concluded that all the substances do not give rise to safety concerns at their levels of dietary intake, estimated on the basis of the MSDI approach.

EFSA Journal 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 C12H14O2, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate.

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

Sundh, Ulla Beckman published the artcileScientific opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is EFSA Journal (2012), 10(12), 2994, 140 pp., database is CAplus.

The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to evaluate 45 flavouring substances in the Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4), using the Procedure in Commission Regulation (EC) No 1565/2000. This revision 4 is made due to inclusion of four addnl. substances, o-, m- and p-tolualdehyde [FL no: 05.026, 05.028 and 05.029] and phenylmethyl 2-methyl-2-butenoate [FL no: 09.858]. None of the substances were considered to have genotoxic potential. The substances were evaluated through a stepwise approach (the Procedure) that integrates information on structure-activity relationships, intake from current uses, toxicol. threshold of concern, and available data on metabolism and toxicity. The Panel concluded that all the substances do not give rise to safety concerns at their levels of dietary intake, estimated on the basis of the MSDI approach. Besides the safety assessment of these flavouring substances, the specifications for the materials of commerce have also been considered. Adequate specifications including complete purity criteria and identity for the materials of commerce have been provided for all 45 candidate substances.

EFSA Journal 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 C10H15NO, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate.

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

Hoque, Emdadul Md published the artcileNoncovalent interactions in Ir-catalyzed C-H activation: L-shaped ligand for para-selective borylation of aromatic esters, Category: esters-buliding-blocks, the publication is Journal of the American Chemical Society (2017), 139(23), 7745-7748, database is CAplus and MEDLINE.

An efficient strategy for the para-selective C-H-borylation of aromatic esters is described, utilizing iridium(I) precatalyst [Ir(cod)(OMe)]₂ and an L-shaped ligand I (L1), which enables coordination of the iridium center through its bipyridine moiety and substrate coordination through 2-quinolinol hydrogen bond. For achieving high para-selectivity, a new catalytic system has been developed modifying the core structure of the bipyridine. It has been proposed that the L-shaped ligand is essential to recognize the functionality of the oxygen atom of the ester carbonyl group via noncovalent interaction, which provides an unprecedented controlling factor for para-selective C-H activation/borylation.

Journal of the American Chemical Society 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, Category: esters-buliding-blocks.

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

Egly, Julien published the artcileCopper(I) complexes with remotely functionalized phosphine ligands: Synthesis, structural variety, photophysics and effect onto the optical properties, SDS of cas: 617-52-7, the publication is Inorganica Chimica Acta (2021), 119971, database is CAplus.

The synthesis, chem. and photophys. investigation of a series of eight novel copper-halide derivatives with different nuclearity is herein presented. One mononuclear copper(I) complex with formula [CuI(pyridine)(P)₂], where P is a functionalized phosphine, six dinuclear derivatives bearing the rhombic {Cu₂I₂} subunits and with general formula [Cu(μ-I)(P)(N)]₂ (N = pyridine, quinoline and 4-cyanopyridine) as well as one tetranuclear copper-iodide clusters of general formula [Cu(μ-I)P]₄ consisting of a cubane-like {Cu₄X₄} motif were straightforwardly prepared, also by mechano-chem. synthetic procedure. The phosphine ligands were prepared in excellent yield by using simple hydrophosphination reactions. For five of the investigated cuprous iodide derivatives their atom connectivity and solid-state crystalline packing was unambiguously confirmed by solving their single-crystal x-ray structure. All the investigated complexes resulted into photo- and thermally-stable luminescent species. In the solid state as microcrystalline powder samples, the complexes display intense photoluminescence ranging from the sky-blue to orange-red portion of the spectrum with PLQY values of 0.28-0.50 and 0.34-0.97 at room and low (77 K) temperature, resp., depending on the nature of both the coordinated N-heteroaromatic ring and phosphine ligands. In spite of the remote location of the functionalization of the phosphine, profound effects are observed onto the solid-state emission properties highlighting the importance of microenvironment for the emitters in the aggregated phase.

Inorganica Chimica Acta 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, SDS of cas: 617-52-7.

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

Wang, Pengxu published the artcileDiscovery of Novel Thiophene-arylamide Derivatives as DprE1 Inhibitors with Potent Antimycobacterial Activities, Name: 3-(Methoxycarbonyl)benzoic acid, the publication is Journal of Medicinal Chemistry (2021), 64(9), 6241-6261, database is CAplus and MEDLINE.

In this study, we report the design and synthesis of a series of novel thiophene-arylamide compounds derived from the noncovalent decaprenylphosphoryl-β-D-ribose 2′-epimerase (DprE1) inhibitor TCA1 through a structure-based scaffold hopping strategy. Systematic optimization of the two side chains flanking the thiophene core led to new lead compounds bearing a thiophene-arylamide scaffold with potent antimycobacterial activity and low cytotoxicity. Compounds I, II, III [X = H,F] exhibited potent in vitro activity against both drug-susceptible (min. inhibitory concentration (MIC) = 0.02-0.12μg/mL) and drug-resistant (MIC = 0.031-0.24μg/mL) tuberculosis strains while retaining potent DprE1 inhibition (half maximal inhibitory concentration (IC₅₀) = 0.2-0.9μg/mL) and good intracellular antimycobacterial activity. In addition, these compounds showed good hepatocyte stability and low inhibition of the human ether-á-go-go related gene (hERG) channel. The representative compound III [X = H] with acceptable pharmacokinetic property demonstrated significant bactericidal activity in an acute mouse model of tuberculosis. Moreover, the mol. docking study of template compound I provides new insight into the discovery of novel antitubercular agents targeting DprE1.

Journal of Medicinal Chemistry 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, Name: 3-(Methoxycarbonyl)benzoic acid.

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

Krause, Bernhard M. published the artcileItaCORMs: conjugation with a CO-releasing unit greatly enhances the anti-inflammatory activity of itaconates, Quality Control of 617-52-7, the publication is RSC Medicinal Chemistry (2021), 12(12), 2053-2059, database is CAplus and MEDLINE.

Endogenous itaconate as well as the gasotransmitter CO have recently been described as powerful anti-inflammatory and immunomodulating agents. However, each of the two agents comes along with a major drawback: Whereas itaconates only exert beneficial effects at high concentrations above 100 μM, the uncontrolled application of CO has strong toxic effects. To solve these problems, we designed hybrid prodrugs, i.e. itaconates that are conjugated with an esterase-triggered CO-releasing acyloxycyclohexadiene-Fe(CO)₃ unit (ItaCORMs). Here, we describe the synthesis of different ItaCORMs and demonstrate their anti-inflammatory potency in cellular assays of primary murine immune cells in the low μmolar range (<10 μM). Thus, ItaCORMs represent a promising new class of hybrid compounds with high clin. potential as anti-inflammatory agents.

RSC Medicinal Chemistry 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, Quality Control of 617-52-7.

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

Anadon, Arturo published the artcileScientific opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30, Safety of 3-Methylbut-2-en-1-yl benzoate, the publication is EFSA Journal (2010), 8(7), 1405, 136 pp., database is CAplus.

The Scientific Panel on Food Contact Materials, Enzymes, Flavorings and Processing Aids has been requested to evaluate 41 flavoring substances in the Flavoring Group Evaluation 20, Revision 2 (FGE.20Rev2), using the Procedure as referred to in the Commission Regulation (EC) No 1565/2000. These 41 flavoring substances belong to chem. group 23 and 30, Annex I of the Commission Regulation (EC) No 1565/2000. Generally, 39 candidate substances would present no safety concern at the levels of intake estimated on the basis of the MSDI approach. Notably, information on stereoisomerism has not been specified for two, the final evaluation of the materials of commerce cannot be performed for these two substances, pending further information.

EFSA Journal 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 C12H14O2, Safety of 3-Methylbut-2-en-1-yl benzoate.

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

Wang, Huamin published the artcileA base-controlled switch of SO₂ reincorporation in photocatalyzed radical difunctionalization of alkenes, Safety of Dimethyl itaconate, the publication is Chem (2021), 7(12), 3412-3424, database is CAplus.

Control of selectivity is a pivotal challenge in radical chem. owing to the high reactivity and instability of radical species. Herein, a switchable, base-controlled strategy toward the reincorporation/release of SO₂ in photocatalyzed radical difunctionalization of alkenes has been described. By this chemodivergent strategy, a variety of valuable, otherwise difficult-to-access γ-trifluoromethylated ketones and trifluoromethylated sulfonyl ketones can be selectively furnished from the same starting materials. This method features high chemoselectivity, a broad substrate scope, excellent functional group tolerance, and facile scale-up and was applied in a one-pot synthetic procedure. Evaluation of the reaction conditions and mechanistic studies indicate that the choice of base can invert the chemoselectivity of the reaction, demonstrating control over a challenging radical selectivity pattern.

Chem 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 C18H24N6O6S4, Safety of Dimethyl itaconate.

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

Wuest, Frank R. published the artcile¹¹C-C bond formation by palladium-mediated cross-coupling of alkenylzirconocenes with [¹¹C]methyl iodide, Application of 3-Methylbut-2-en-1-yl benzoate, the publication is Journal of Labelled Compounds and Radiopharmaceuticals (2006), 49(2), 91-100, database is CAplus.

Hydrozirconation of substituted propynes followed by coupling with [¹¹C]methyl iodide was applied for preparation of methyl-group labeled alkenes. Reaction fo RCCMe with Cp₂ZrHCl with subsequent treatment with ¹¹C-Me iodide in the presence of Pd(PPh₃)₄ yielded the corresponding RCH:CMe(¹¹CH₃) (R = Ph, PhOCH₂, ^tBu, n-Pr, ^tBuMe₂SiOCH₂, HOCH₂, 4-NO₂C₆H₄OCH₂). The palladium complex Pd(PPh₃)₄ proved to be superior to Pt(PPh₃)₄ or Ni(PPh₃)₄ as transition metal complex. The scope and limitations of the novel palladium-mediated cross-coupling reaction of alkenylzirconocenes with [¹¹C]methyl iodide were tested with various internal alkynes. After heating at 60° for 6 min radiochem. yields of up to 75% (based upon [¹¹C]methyl iodide) could be achieved.

Journal of Labelled Compounds and Radiopharmaceuticals 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 C9H5ClO2, Application of 3-Methylbut-2-en-1-yl benzoate.

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