Methyl 3-allylbenzoate

Base Information

Chemical Name:Methyl 3-allylbenzoate
CAS No.:61463-60-3
Molecular Formula:C11H12O2
Molecular Weight:176.215
Hs Code.:
DSSTox Substance ID:DTXSID20441678
Nikkaji Number:J167.583D
Wikidata:Q82258549

Synonyms:Methyl 3-allylbenzoate;61463-60-3;Benzoic acid, 3-(2-propenyl)-, methyl ester;Methyl 3-prop-2-enylbenzoate;SCHEMBL757447;DTXSID20441678;LBALXZYFQJNUIY-UHFFFAOYSA-N;3-(2-Propenyl)benzoic acid methyl ester

Suppliers and Price of Methyl 3-allylbenzoate

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

Total 1 raw suppliers

Chemical Property of Methyl 3-allylbenzoate

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:176.083729621
Heavy Atom Count:13
Complexity:187

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC(=C1)CC=C

Technology Process of Methyl 3-allylbenzoate

There total 4 articles about Methyl 3-allylbenzoate 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: 90.0%

: 67-56-1
methanol

: 1077-07-2
3-allylbenzoic acid

: 61463-60-3
methyl 3-(2-propenyl)benzoate

Guidance literature:: With diazomethyl-trimethyl-silane; In hexane; benzene; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jacs.6b02391

Reference yield: 85.0%

: 618-89-3
methyl 3-bromobenzoate

: 24850-33-7
allyltributylstanane

: 61463-60-3
methyl 3-(2-propenyl)benzoate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 36h;
DOI:10.1021/jm990448e

Reference yield:

: 618-91-7
methyl 3-iodo-benzoate

: 107-05-1
3-chloroprop-1-ene

: 61463-60-3
methyl 3-(2-propenyl)benzoate

Guidance literature:: methyl 3-iodo-benzoate; With chloro-trimethyl-silane; zinc; In diethylene glycol dimethyl ether; at 100 ℃; for 24h;

3-chloroprop-1-ene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In diethylene glycol dimethyl ether; at 0 ℃; for 0.166667h;
DOI:10.1021/jo026746s