Methyl 5-chloro-2-ethenylbenzoate

Base Information

Chemical Name:Methyl 5-chloro-2-ethenylbenzoate
CAS No.:131001-88-2
Molecular Formula:C10H9ClO2
Molecular Weight:196.633
Hs Code.:
DSSTox Substance ID:DTXSID80568370
Nikkaji Number:J340.476E
Wikidata:Q82454604

Synonyms:Methyl 5-chloro-2-ethenylbenzoate;131001-88-2;Benzoic acid, 5-chloro-2-ethenyl-, methyl ester;methyl 5-chloro-2-vinylbenzoate;SCHEMBL16008419;DTXSID80568370;GJDKSXOBYHDGHZ-UHFFFAOYSA-N

Suppliers and Price of Methyl 5-chloro-2-ethenylbenzoate

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 3 raw suppliers

Chemical Property of Methyl 5-chloro-2-ethenylbenzoate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:196.0291072
Heavy Atom Count:13
Complexity:203

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-chloro-2-ethenylbenzoate

There total 6 articles about Methyl 5-chloro-2-ethenylbenzoate 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: 91.0%

: 27007-53-0
methyl-2-bromo-5-chlorobenzoate

: potassium vinyltrifluoroborate

: 131001-88-2
methyl 2-ethenyl-5-chlorobenzoate

Guidance literature:: With caesium carbonate; triphenylphosphine; palladium dichloride; In tetrahydrofuran; water; at 85 ℃; for 12h; Inert atmosphere;
DOI:10.1002/chem.201804152

Reference yield: 75.0%

: 74-85-1
ethene

: 27007-53-0
methyl-2-bromo-5-chlorobenzoate

: 131001-88-2
methyl 2-ethenyl-5-chlorobenzoate

Guidance literature:: With triethylamine; tris-(o-tolyl)phosphine; palladium diacetate; In acetonitrile; at 120 ℃; for 24h; under 22800 Torr;

Reference yield:

: 21739-93-5
2-bromo-5-chlorobenzoic acid

: 131001-88-2
methyl 2-ethenyl-5-chlorobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: methanol; toluene; diethyl ether / 2 h / Inert atmosphere; Schlenk technique

2: caesium carbonate; palladium dichloride; triphenylphosphine / tetrahydrofuran; water / 0.4 h / 85 °C / Inert atmosphere; Schlenk technique

With caesium carbonate; triphenylphosphine; palladium dichloride; In tetrahydrofuran; methanol; diethyl ether; water; toluene;
DOI:10.1002/anie.201209582