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Benzenepropanoic acid, α-(1-methylethyl)-β-oxo-, methyl ester, also known as methyl 2-(4-isopropylidene-2-oxo-1-cyclohexen-1-yl)acetate, is a synthetic organic compound with the chemical formula C12H16O3. It is a colorless to pale yellow liquid with a fruity, apple-like odor. Benzenepropanoic acid, a-(1-methylethyl)-b-oxo-, methyl ester is primarily used as a fragrance ingredient in various consumer products, such as perfumes, cosmetics, and personal care items. It is also employed as a flavoring agent in food and beverages, imparting a fruity, apple-like taste. The compound is synthesized through a series of chemical reactions involving benzenepropanoic acid and methyl esterification. It is considered safe for use in these applications, but like any chemical, it should be handled with care to avoid potential health risks.

29540-55-4

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29540-55-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 29540-55-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,5,4 and 0 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 29540-55:
(7*2)+(6*9)+(5*5)+(4*4)+(3*0)+(2*5)+(1*5)=124
124 % 10 = 4
So 29540-55-4 is a valid CAS Registry Number.

29540-55-4Relevant academic research and scientific papers

Reductive Ti-crossed Claisen condensation between methyl α-bromocarboxylates and acid chlorides utilizing a TiCl 4-PPh3-N-methylimidazole reagent

Iida, Akira,Nakazawa, Syogo,Nakatsuji, Hidefumi,Misaki, Tomonori,Tanabe, Yoo

, p. 48 - 49 (2007)

Reductive Ti-crossed Claisen condensation between methyl α-bromocarboxylates and acid chlorides utilizing a TiCl 4-PPh3-N-methylimidazole reagent proceeded smoothly to give the α-monosubstituted and thermodynamically unfavorable α,α-

N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts

Kim, Inwon,Im, Honggu,Lee, Hyeonyeong,Hong, Sungwoo

, p. 3192 - 3197 (2020/04/08)

By employing an N-heterocyclic carbene (NHC) catalyst, we developed a versatile catalytic system that enables deaminative cross-coupling reactions of aldehydes with redox-active pyridinium salts. Katritzky pyridinium salts behave as single-electron oxidants capable of generating alkyl radicals enabled by the redox properties of the enolate form of Breslow intermediates. The resultant alkyl radical undergoes efficient recombination with the NHC-bound aldehyde-derived carbonyl carbon radical for the formation of a C-C bond. The mild and transition metal-free reaction conditions tolerate a broad range of functional groups, and its utility has been further demonstrated by the modification of a series of peptide feedstocks and application to the three-component dicarbofunctionalization of olefins.

Stereoselective reduction of 2-methyl-3-oxo esters (or amides) with sodium borohydride catalyzed by manganese (II) chloride or tetrabutylammonium borohydride. A practical preparation of erythro and threo-3-hydroxy-2-methyl esters (or amides)

Taniguchi, Masahiko,Fujii, Hideaki,Oshima, Koichiro,Utimoto, Kiitiro

, p. 11169 - 11182 (2007/10/02)

erythro-3-Hydroxy-2-methylpropionates or erythro-3-hydroxy-2-methylpropionamides were prepared with high stereoselectivity by NaBH4 reduction of the corresponding 2-methyl-3-oxo esters or 2-methyl-3-oxo amides in the presence of a catalytic amount of manganese(II) chloride. On the other hand, reduction of these substrates with n-Bu4NBH4 provided threo-isomers selectively. erythro-Selective reduction of 2-methyl-3-oxo amides with NaBH3CN in 1N HCl-MeOH is also described.

Reactions of Trimethylsilyl Ketene Acetals with Benzoyl Cyanide and with α-Keto Esters

Reddy, Chaganti P.,Tanimoto, Shigeo

, p. 411 - 414 (2007/10/02)

Trimethylsilyl ketene acetals reacted with benzoyl cyanide in the absence of a catalyst to give N-trimethylsilyl-β-benzoyl-β-iminopropionates.In the presence of a Lewis acid catalyst they gave the corresponding α-benzoylcarboxylates in moderate yields.Sev

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