Category: 5205-11-8

Khan, Sher Bahadar published the artcileTyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2010), 25(6), 812-817, database is CAplus and MEDLINE.

A series of benzoic acid derivatives 1-10 have been synthesized by two different methods. Compounds 1-6 were synthesized by a facile procedure for esterification using N,N’-dicyclohexylcarbodiimide (DCC) as a coupling agent, methylene chloride as a solvent system and dimethylaminopyridine (DMAP). While 7-10 were synthesized by converting benzoic acid into benzoyl chloride by treating with thionyl chloride in the presence of benzene and performing a further reaction with amine in dried benzene. The structures of all the synthesized derivatives of benzoic acid (1-10) were assigned on the basis of extensive NMR studies. All of them showed inhibitory potential against tyrosinase. Among them, compound 7 was the most potent (1.09 μM) when compared with the standard tyrosinase inhibitors of kojic acid (16.67 μM) and L-mimosine (3.68 μM). Finally in this paper, we have discussed the structure-activity relationships of the synthesized mols.

Journal of Enzyme Inhibition and Medicinal Chemistry 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

Casanola-Martin, Gerardo M. published the artcileRetrained classification of tyrosinase inhibitors and “in silico” potency estimation by using atom-type linear indices: a powerful tool for speed up the discovery of leads, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is International Journal of Chemoinformatics and Chemical Engineering (2012), 2(2), 42-144, database is CAplus.

In this paper, the authors present an effort to increase the applicability domain (AD) by means of retraining models using a database of 701 great dissimilar mols. presenting anti-tyrosinase activity and 728 drugs with other uses. Atom-based linear indexes and best subset linear discriminant anal. (LDA) were used to develop individual classification models. Eighteen individual classification-based QSAR models for the tyrosinase inhibitory activity were obtained with global accuracy varying from 88.15-91.60% in the training set and values of Matthews correlation coefficients (C) varying from 0.76-0.82. The external validation set shows globally classifications above 85.99% and 0.72 for C. All individual models were validated and fulfilled by OECD principles. A brief anal. of AD for the training set of 478 compounds and the new active compounds included in the re-training was carried out. Various assembled multiclassifier systems contained eighteen models using different selection criterions were obtained, which provide possibility of select the best strategy for particular problem. The various assembled multiclassifier systems also estimated the potency of active identified compounds Eighteen validated potency models by OECD principles were used.

International Journal of Chemoinformatics and Chemical Engineering 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

Ushigoe, Yoshihiro published the artcileSynthesis of 1,2,4-trioxanes and 1,2,4-trioxepanes by N-halogenosuccinimide-mediated cyclizations of unsaturated hydroperoxyacetals, COA of Formula: C12H14O2, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1997), 5-10, database is CAplus.

Ozonolyses of vinyl ethers R¹R²C:CHOMe [R¹ = Ph, C₇H₁₅, R² = H; R¹R² = (CH₂)₅] in CH₂Cl₂ in the presence of allylic and homoallylic alcs. R⁴₂C:CR³CH₂OH (R³ = Me, H, R⁴ = H, Me) and H₂C:CMeCH₂CH₂OH give in each case the corresponding unsaturated hydroperoxy acetals R⁴₂C:CR³CH₂OCR¹R²OOH and H₂C:CMeCH₂CH₂OCR¹R²OOH, derived from capture of the carbonyl oxides by the unsaturated alcs. N-Halosuccinimide-mediated cyclizations of the hydroperoxides give the corresponding 1,2,4-trioxanes, e.g., I and/or 1,2,4-trioxepanes, e.g., II (X = Br, iodo), depending on the structure of the hydroperoxides and the identity of the N-halosuccinimides.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry 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 C17H14N2O2, COA of Formula: C12H14O2.

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

Badet, Bernard published the artcilePhase-transfer alkylation with sulfonium salts, COA of Formula: C12H14O2, the publication is Synthesis (1980), 926-9, database is CAplus.

Sulfonium salts are effective alkylating agents under phase-transfer conditions. Thus PhSO₂H was treated with K₂CO₃ and Me₂C:CHCH₂S⁺(C₁₂H₂₅)₂ ClO^4- in CH₂Cl₂ at room temperature to give 78% Me₂C:CHCH₂SO₂Ph. BzOH similarly gave 88% BzOCH₂CH:CMe₂. Treatment of KOAc with C₆H₁₃S⁺Ph₂ ClO₄^– gave 80% hexyl acetate.

Synthesis 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, COA of Formula: C12H14O2.

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

Gauchet, F. published the artcileRegiochemistry of alkylation of benzoate and hydrogen dibenzoate anions with 1,1-dimethylallyl and 3,3-dimethylallyldimethylsulfonium salts. Influence of copper(I), Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is Bulletin de la Societe Chimique de France (1990), 268-74, database is CAplus.

CH₂:CHCMe₂S⁺Me₂ BF₄^– (I) was prepared by methylation of CH₂:CHCMe₂SMe, to compare its reactivity towards substitution to that of Me₂C:CHCH₂S⁺Me₂ BF₄^– (II). Substitution by benzoate is remarkably sensitive to the nature of the nucleophile: whereas, the reaction of PhCO₂K with I gives a 50:50 mixture of primary and tertiary esters, potassium hydrogen dibenzoate leads exclusively to the tertiary ester. In the presence of copper(I) the tertiary benzoate is the only product obtained with both nucleophiles, as in the case of II; this result is consistent with the involvement of a π-allyl copper intermediate common to both isomers.

Bulletin de la Societe Chimique de France 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

Badet, B. published the artcileEffect of copper salts on the alkylation of carboxylate ions by sulfonium salts, Name: 3-Methylbut-2-en-1-yl benzoate, the publication is Tetrahedron (1983), 39(19), 3111-25, database is CAplus.

BzOK, AcOK, and BzOH-K₂CO₃ were alkylated using sulfonium salts Ph₂S⁺R, PhS⁺R¹R², R³S⁺R⁴₂, or R⁵R⁶S⁺CH₂CH:CH₂ [R = Me, Et, Pr, Bu, allyl, CHMe₂, CH₂Ph; R¹, R⁶ = lauryl, Me; R² = allyl, lauryl; R³ = Me, Pr, CHMe₂, CMe₃, allyl, methallyl, 2-octyl, prenyl, lauryl; R⁴ = Me, Pr, allyl, lauryl, (CH₂)_4,5; R⁵ = Et, Ph]. Mixtures of esters were obtained. In the presence of Cu(I) salts, the reaction of allylic sulfonium salts became very selective in favor of the unsaturated residues. Prenyl sulfonium salts, which reacted through the α-position in the absence of Cu salts, gave exclusively tertiary esters when a catalytic amount of CuBr was present.

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, Name: 3-Methylbut-2-en-1-yl benzoate.

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

Liu, Binbin published the artcileWacker-Type Oxidation Using an Iron Catalyst and Ambient Air: Application to Late-Stage Oxidation of Complex Molecules, Product Details of C12H14O2, the publication is Angewandte Chemie, International Edition (2017), 56(41), 12712-12717, database is CAplus and MEDLINE.

A practical and general iron-catalyzed Wacker-type oxidation of olefins to ketones is presented, and it uses ambient air as the sole oxidant. The mild oxidation conditions enable exceptional functional-group tolerance, which has not been demonstrated for any other Wacker-type reaction to date. The inexpensive and nontoxic reagents [iron(II) chloride, polymethylhydrosiloxane, and air] can, therefore, also be employed to oxidize complex natural-product-derived and polyfunctionalized mols.

Angewandte Chemie, International Edition 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, Product Details of C12H14O2.

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

Chen, Haifeng published the artcileNickel-Catalyzed Reductive Allylation of Tertiary Alkyl Halides with Allylic Carbonates, COA of Formula: C12H14O2, the publication is Angewandte Chemie, International Edition (2017), 56(42), 13103-13106, database is CAplus and MEDLINE.

The construction of all C(sp³) quaternary centers has been successfully achieved under Ni-catalyzed cross-electrophile coupling of allylic carbonates with unactivated tertiary alkyl halides. For allylic carbonates bearing C1 or C3 substituents, the reaction affords excellent regioselectivity through the addition of alkyl groups to the unsubstituted allylic carbon terminus. The allylic alkylation method also exhibits excellent functional-group compatibility, and delivers the products with high E selectivity.

Angewandte Chemie, International Edition 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, COA of Formula: C12H14O2.

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

Ostergaard, N. published the artcileScope and limitations of chiral bis(oxazoline) ligands in the copper-catalysed asymmetric cyclopropanation of trisubstituted alkenes, Product Details of C12H14O2, the publication is Tetrahedron (2001), 57(28), 6083-6088, database is CAplus.

A series of derivatives of 3-methyl-2-buten-1-ol, Me₂C:CHCH₂OR (R = Ac, PhCH₂, 4-O₂NC₆H₄CO, etc.), has been used to test the scope and limitations of the copper-catalyzed asym. cyclopropanation of trisubstituted alkenes by Et diazoacetate in the presence of C₂-sym. bis(oxazoline) ligands. In the best case, a trans/cis ratio of 91:9, with 92% ee for the major isomer, was obtained from the reaction of the p-methoxybenzoate derivative The highest ee was 95%, for the trans isomer of a 80:20 diastereomer mixture (acetate derivative).

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, Product Details of C12H14O2.

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

Kovsman, E. P. published the artcileAnodic condensation of mixtures of dicarboxylic acid monomethyl esters in methyl alcohol, Synthetic Route of 5205-11-8, the publication is Neftekhimiya (1965), 5(5), 730-7, database is CAplus.

Using the gas-liquid chromatographic method, electrolytic condensation of monomethyl esters of succinic, glutaric, and adipic acids has been investigated during their electrolysis on a Pt electrode (anode) in MeOH solutions The monomethyl ester of succinic acid + the monomethyl ester of glutaric acid give dimethyl esters of adipic, pimelic, and suberic acids by anodic condensation; the monomethyl ester of succinic acid + the monomethyl ester of adipic acid give the dimethyl esters of adipic, suberic, and sebacic acids; the monomethyl ester of glutaric acid + the monomethyl ester of adipic acid give dimethyl esters of suberic, azelaic, and sebacic acids. Optimum conditions for this process were determined (c.d. 10-20 amp./dm.¹, temperature 60°) and some relations of the formation of even products of anodic condensation were found in their dependence on the composition of the electrolyte. 17 references.

Neftekhimiya 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, Synthetic Route of 5205-11-8.

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