Benzenepropanoic acid, 4-chloro-, methyl ester

Base Information

• Chemical Name: Benzenepropanoic acid, 4-chloro-, methyl ester
• CAS No.: 50561-69-8
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• Mol file: 50561-69-8.mol

Synonyms:methyl 3-(4-chlorophenyl)propanoate;4-Chlorobenzenepropanoic acid methyl ester;Benzenepropanoic acid, 4-chloro-, Methyl ester

Chemical Property of Benzenepropanoic acid, 4-chloro-, methyl ester

Chemical Property:

• Boiling Point: 136-138 °C(Press: 14 Torr)
• PSA: 26.30000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 2.44560

Purity/Quality:

98.0% ^*data from raw suppliers

Methyl3-(4-Chlorophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenepropanoic acid, 4-chloro-, methyl ester

There total 25 articles about Benzenepropanoic acid, 4-chloro-, methyl ester 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: 100.0%

3-(4-chlorophenyl)propanoic acid (2019-34-3) + carbonic acid dimethyl ester (616-38-6) → methyl 3-(4-chlorophenyl)propanoate (50561-69-8)

Guidance literature:

With Novozym 435; acylase I from Aspergillus melleus; amano lipase AK from pseudomonas fluorescens; lipase from wheat germ; papaine; In toluene; at 40 ℃; for 48h; Mechanism; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.02.020

Reference yield: 99.0%

methanol (67-56-1) + 3-(4-chlorophenyl)propanoic acid (2019-34-3) → methyl 3-(4-chlorophenyl)propanoate (50561-69-8)

Guidance literature:

With sulfuric acid; for 12h; Schlenk technique;

DOI:10.1002/anie.201901673

Reference yield: 90.0%

methanol (67-56-1) + 4-vinylbenzyl chloride (1073-67-2,24991-47-7) + carbon monoxide (201230-82-2) → methyl 3-(4-chlorophenyl)propanoate (50561-69-8) + methyl 2-(p-chlorophenyl)propionate (50415-70-8)

Guidance literature:

With 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dichloromethane; at 20 ℃; for 14h; regioselective reaction;

DOI:10.1039/c5cc05012j

upstream raw materials:

methyl 4-chlorocinnamate

carbon monoxide

bromochlorobenzene

acrylic acid methyl ester

Downstream raw materials:

3-(p-chlorophenyl)propanol

6-chloro-1-indanone

3-Phenyl-1-propanol

3-(4-chlorophenyl)-propionic acid hydrazide

Refernces

• 1、 Beller, Matthias,Dühren, Ricarda,Franke, Robert,Ge, Yao,Huang, Weiheng,Jackstell, Ralf,Liu, Jiawang,Neumann, Helfried,Schneider, Carolin,Yang, Ji. "A general platinum-catalyzed alkoxycarbonylation of olefins". supporting information. p. 5235 - 5238. Retrieved 2020/07/30.
• 2、 Beller, Matthias,Jackstell, Ralf,Maes, Bert U. W.,Schneider, Carolin. "Palladium-Catalyzed Alkoxycarbonylation of sec-Benzylic Ethers". supporting information. . Retrieved 2020/02/25.