METHYL-3-PHENYLBUTYRATE

Base Information

• Chemical Name: METHYL-3-PHENYLBUTYRATE
• CAS No.: 3461-39-0
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• Mol file: 3461-39-0.mol

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

Chemical Property of METHYL-3-PHENYLBUTYRATE

Chemical Property:

• Vapor Pressure: 0.0537mmHg at 25°C
• Boiling Point: 234.2°Cat760mmHg
• Flash Point: 95°C
• PSA: 26.30000
• Density: 1.012g/cm³
• LogP: 2.35320

Purity/Quality:

99% ^*data from raw suppliers

METHYL-3-PHENYLBUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL-3-PHENYLBUTYRATE

There total 74 articles about METHYL-3-PHENYLBUTYRATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

methyl (E)-3-phenyl-2-butenoate → 3-phenyl-butyric acid methyl ester (3461-39-0)

Guidance literature:

With 1,4-dioxane; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,2-bis-(dicyclohexylphosphino)ethane; at 130 ℃; for 10h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b01989

Reference yield: 96.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 3-phenyl-butyric acid methyl ester (3461-39-0)

Guidance literature:

With 1,3-bis(tert-butyl(pyridin-2-yl)phosphanyl)propane; palladium(II) acetylacetonate; toluene-4-sulfonic acid; for 20h; Sealed tube; Inert atmosphere; Autoclave;

DOI:10.1039/C8CC07470D

Reference yield: 95.0%

methyllithium (917-54-4) + Methyl cinnamate (103-26-4,1754-62-7) → 3-phenyl-butyric acid methyl ester (3461-39-0)

Guidance literature:

methyllithium; With copper(l) iodide; chloro-trimethyl-silane; sodium iodide; In dichloromethane; at -78 ℃; for 0.333333h;

Methyl cinnamate; In dichloromethane; at 0 ℃; for 9h; Further stages.;

DOI:10.1016/j.tetlet.2007.08.105

upstream raw materials:

diazomethane

2-(1-phenylethyl)propanedinitrile

methanol

3-phenylbutyric acid

Downstream raw materials:

(S)-2-phenylbutanoic acid

methyl (R)-3-phenylbutanoate

methyl 2-methyl-3-phenylbutanoate

3-phenyl-N-(quinolin-8-yl)butanamide

Refernces

• 1、 Hirano, Koji,Miura, Masahiro,Nishino, Soshi. "An umpolung-enabled copper-catalysed regioselective hydroamination approach to α-amino acids". . p. 11525 - 11537. Retrieved 2021/09/07.
• 2、 Alkayal, Anas,Buckley, Benjamin R.,Malkov, Andrei V.,Montanaro, Stephanie,Tabas, Volodymyr,Wright, Iain A.. "Harnessing Applied Potential: Selective β-Hydrocarboxylation of Substituted Olefins". supporting information. . Retrieved 2020/02/13.