Benzoic acid, 2-(2-propenyl)-, methyl ester

Base Information

Chemical Name:Benzoic acid, 2-(2-propenyl)-, methyl ester
CAS No.:61463-59-0
Molecular Formula:C11H12O2
Molecular Weight:176.215
Hs Code.:
DSSTox Substance ID:DTXSID10440670
Nikkaji Number:J167.581H
Wikidata:Q82257036

Synonyms:61463-59-0;Benzoic acid, 2-(2-propenyl)-, methyl ester;Methyl 2-allylbenzoate;SCHEMBL24074659;2-Allylbenzoic acid methyl ester;DTXSID10440670;A1-24427

Suppliers and Price of Benzoic acid, 2-(2-propenyl)-, methyl ester

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

A1 Biochem Labs
Methyl2-allylbenzoate 95%
2.5 g
$ 1100.00

Total 0 raw suppliers

Chemical Property of Benzoic acid, 2-(2-propenyl)-, methyl ester

Chemical Property:

PSA：26.30000
LogP:2.20170
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:: Methyl2-allylbenzoate 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1CC=C

Technology Process of Benzoic acid, 2-(2-propenyl)-, methyl ester

There total 13 articles about Benzoic acid, 2-(2-propenyl)-, 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: 95.0%

: 610-97-9
o-iodo-methyl-benzoic acid

: 106-95-6
allyl bromide

: 61463-59-0
2-allyl benzoic acid methyl ester

Guidance literature:: o-iodo-methyl-benzoic acid; With 1-bromo-butane; iodine; magnesium; In tetrahydrofuran; at -40 ℃; for 1.75h; Inert atmosphere;

With copper(l) cyanide; lithium chloride; In tetrahydrofuran; for 0.25h; Inert atmosphere;

allyl bromide; In tetrahydrofuran; at -40 - 20 ℃; for 0.166667h; Inert atmosphere;
DOI:10.1002/chem.201804131

Reference yield: 95.0%

: 610-94-6
2-bromobenzoic acid methyl ester

: 24850-33-7
allyltributylstanane

: 61463-59-0
2-allyl benzoic acid methyl ester

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In tetrahydrofuran; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201911372

Reference yield: 92.0%

: 591-87-7
Allyl acetate

: 610-94-6
2-bromobenzoic acid methyl ester

: 61463-59-0
2-allyl benzoic acid methyl ester

Guidance literature:: With pyridine; nickel(II) iodide; tetrabutylammomium bromide; 4,4'-di-tert-butyl-2,2'-bipyridine; magnesium chloride; zinc; In N,N-dimethyl acetamide; at 60 ℃; for 12h; Inert atmosphere;
DOI:10.1021/ol3013342