3461-39-0

Basic information

• Product Name: METHYL-3-PHENYLBUTYRATE
• Synonyms: METHYL-3-PHENYLBUTYRATE;(R,S)-3-Phenyl-butyricacidmethylester;Benzenepropanoic acid, beta-methyl-, methyl ester;Hydrocinnamic acid, beta-methyl-, methyl ester;Methyl 3-phenylbutanoate;Methyl ester of beta-Methylbenzenepropanoic acid;R,S-3-Phenyl-butyricacidmethylester;3-Phenylbutanoic acid methyl ester
• CAS NO: 3461-39-0
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• Mol File: 3461-39-0.mol
• Article Data: 62

Chemical Properties

• Boiling Point: 234.2°Cat760mmHg
• Flash Point: 95°C
• Appearance: /
• Density: 1.012g/cm³
• Vapor Pressure: 0.0537mmHg at 25°C
• Refractive Index: 1.496
• CAS DataBase Reference: METHYL-3-PHENYLBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL-3-PHENYLBUTYRATE(3461-39-0)
• EPA Substance Registry System: METHYL-3-PHENYLBUTYRATE(3461-39-0)

Safety Data

• Hazardous Substances Data: 3461-39-0(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 101, p. 371, 1979 DOI: 10.1021/ja00496a016Tetrahedron Letters, 27, p. 3107, 1986 DOI: 10.1016/S0040-4039(00)84727-9

InChI:InChI=1/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Upstream product

• 98-83-9 isopropenylbenzene 
• 623-43-8 crotonic acid methyl ester 
• 98-80-6 phenylboronic acid 
• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 623-43-8 methyl crotonate 
• 909413-25-8 6-(tert-butyl)-12-phenyl-5,6,7,12-tetrahydrodibenzo[c,f][1,5]azastibocine 
• 124-38-9 carbon dioxide 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 614-47-1 1,3-diphenyl-propen-3-one 
• 4593-90-2 3-phenylbutyric acid 
• 186581-53-3 diazomethane 
• 29621-69-0 2-(1-phenylethyl)propanedinitrile 
• 3461-50-5 methyl trans-3-methylcinnamate 

Downstream Products

• 67-56-1 methanol 
• 109686-83-1 3-Phenyl-butyric acid anion 
• 772-14-5 (R)-3-phenylbutyric acid 
• 4593-90-2 (S)-2-phenylbutanoic acid 
• 1472-07-7 methyl (R)-3-phenylbutanoate 
• 280743-71-7 (+)-benzyl 3-phenylbutanoate 
• 1328497-73-9 3-phenyl-N-(quinolin-8-yl)butanamide 
• 51552-98-8 3-phenylbutanoyl chloride 
• 6072-57-7 3-methylindanone 
• 1441-20-9 (R)-(-)-3-phenylbutyric acid methyl ester 
• 221878-55-3 (R)-(-)-vinyl 3-phenylbutanoate 
• 71686-93-6 3-oxo-2-(1-phenyl-ethyl)-butyric acid methyl ester 
• 54541-41-2 methyl 2-methyl-3-phenylbutanoate 

Relevant articles and documents

From 2-thienylcopper couplings to trimethylsilyl-promoted organocopper additions

In this paper we continue a 2-thienylcopper line started about twenty years ago with the cross-coupling with iodobenzenes in quinoline.We now report a preparative and NMR study of the favourable influence of trimethylchlorosilane on the conjugate addition

Harnessing Applied Potential: Selective β-Hydrocarboxylation of Substituted Olefins

The construction of carboxylic acid compounds in a selective fashion from low value materials such as alkenes remains a long-standing challenge to synthetic chemists. In particular, β-addition to styrenes is underdeveloped. Herein we report a new electrosynthetic approach to the selective hydrocarboxylation of alkenes that overcomes the limitations of current transition metal and photochemical approaches. The reported method allows unprecedented direct access to carboxylic acids derived from β,β-trisubstituted alkenes, in a highly regioselective manner.

Iridium-Catalyzed Alkene-Selective Transfer Hydrogenation with 1,4-Dioxane as Hydrogen Donor

The iridium-catalyzed transfer hydrogenation of alkenes using 1,4-dioxane as a hydrogen donor is described. The use of 1,2-bis(dicyclohexylphosphino)ethane (DCyPE), featuring bulky and highly electron-donating properties, led to high catalytic activity. A polystyrene-cross-linking bisphosphine PS-DPPBz produced a reusable heterogeneous catalyst. These homogeneous and heterogeneous protocols achieved chemoselective transfer hydrogenation of alkenes over other potentially reducible functional groups such as carbonyl, nitro, cyano, and imino groups in the same molecule.