Methyl 3-(2-chlorophenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(2-chlorophenyl)propanoate
• CAS No.: 74124-86-0
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID101301993
• Mol file: 74124-86-0.mol

Synonyms:Methyl 3-(2-chlorophenyl)propanoate;74124-86-0;SCHEMBL5348780;Methyl 2-chlorobenzenepropanoate;SKAIVXBBFBJQOL-UHFFFAOYSA-N;DTXSID101301993;Methyl3-(2-chlorophenyl)propanoate;Methyl 3-(2-chlorophenyl)propionate;MFCD16620959;AKOS017260161;CS-0326484;E86967

Chemical Property of Methyl 3-(2-chlorophenyl)propanoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.44560
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(2-chlorophenyl)propanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=CC=C1Cl

Technology Process of Methyl 3-(2-chlorophenyl)propanoate

There total 11 articles about Methyl 3-(2-chlorophenyl)propanoate 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: 98.0%

methanol (67-56-1) + 3-(2-chlorophenyl)propanoic acid (1643-28-3) → 3-chlorophenylpropionic acid methyl ester (74124-86-0)

Guidance literature:

With thionyl chloride; at 20 ℃; for 4h; Reflux;

DOI:10.3762/bjoc.11.99

Reference yield: 93.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-(2-chlorophenyl)propanoic acid (1643-28-3) → 3-chlorophenylpropionic acid methyl ester (74124-86-0)

Guidance literature:

In methanol; diethyl ether; at 20 ℃;

DOI:10.1002/1522-2675(200206)85:6<1827::AID-HLCA1827>3.0.CO;2-J

Reference yield: 85.0%

methyl (2E)-3-(2-chlorophenyl)prop-2-enoate (98288-14-3) → 3-chlorophenylpropionic acid methyl ester (74124-86-0)

Guidance literature:

With methanol; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; at 20 ℃; for 16h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1002/adsc.202000751

upstream raw materials:

methanol

3-(2-chlorophenyl)propanoic acid

methyl (2E)-3-(2-chlorophenyl)prop-2-enoate

diazomethane

Downstream raw materials:

1-(3,4-dimethoxyphenyl)-2-[(2Z)-1,2,3,4-tetrahydroquinolin-2-ylidene]ethan-1-one

1-phenyl-2-((2Z)-1,2,3,4-tetrahydroquinolin-2-ylidene)ethan-1-one

5-(2-chlorophenyl)-1-phenylpentane-1,3-dione

3-(2-chlorophenyl)propanoic acid