Methyl 3-(3-chlorophenyl)propanoate

Base Information

Chemical Name:Methyl 3-(3-chlorophenyl)propanoate
CAS No.:103040-43-3
Molecular Formula:C10H11ClO2
Molecular Weight:198.649
Hs Code.:2916399090
DSSTox Substance ID:DTXSID601303025
Nikkaji Number:J2.404.905A
Mol file:103040-43-3.mol

Synonyms:Methyl 3-(3-chlorophenyl)propanoate;103040-43-3;Benzenepropanoic acid, 3-chloro-, methyl ester;SCHEMBL9545043;Methyl 3-chlorobenzenepropanoate;DMMDXXSAQGCQBV-UHFFFAOYSA-N;DTXSID601303025;Methyl3-(3-chlorophenyl)propanoate;AB7499;MFCD04114353;3-Chlorohydrocinnamic acid methyl ester;AB18124;BS-26454;CS-0440033

Suppliers and Price of Methyl 3-(3-chlorophenyl)propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Apolloscientific
Methyl 3-(3-chlorophenyl)propanoate
1g
$ 405.00

AK Scientific
Methyl3-(3-chlorophenyl)propanoate
5g
$ 614.00

Total 2 raw suppliers

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

Chemical Property:

Boiling Point:260.5±15.0 °C(Predicted)
PSA：26.30000
Density:1.163±0.06 g/cm3(Predicted)
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:

97% ^*data from raw suppliers

Methyl 3-(3-chlorophenyl)propanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCC1=CC(=CC=C1)Cl

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

There total 11 articles about Methyl 3-(3-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: 100.0%

: 67-56-1
methanol

: 21640-48-2
3-chlorohydrocinnamic acid

: 103040-43-3
3-(3-chlorophenyl)propionic acid methyl ester

Guidance literature:: With chloro-trimethyl-silane; at 20 ℃;
DOI:10.1021/ja511014w

Reference yield: 66.0%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 2039-85-2,26100-04-9
3-Chlorostyrene

: 103040-43-3
3-(3-chlorophenyl)propionic acid methyl ester

: 103040-42-2
Methyl-2-(3-chlorophenyl) propanoate

Guidance literature:: With 5-chloro-2-hydroxybenzoic acid; boric acid; Tri(p-tolyl)phosphine; palladium diacetate; for 36h; under 25857.4 Torr; Heating;
DOI:10.1021/ol062646n

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: 2039-85-2,26100-04-9
3-Chlorostyrene

: 18107-18-1
diazomethyl-trimethyl-silane

: 103040-43-3
3-(3-chlorophenyl)propionic acid methyl ester

: 103040-42-2
Methyl-2-(3-chlorophenyl) propanoate

Guidance literature:: carbon dioxide; 3-Chlorostyrene; With triethanolamine; tetraethylammonium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 3.5h; under 760.051 Torr; Electrochemical reaction;

diazomethyl-trimethyl-silane; In methanol; toluene; for 0.666667h; regioselective reaction;
DOI:10.1021/jacs.9b13305