Methyl 4-chloro-2-ethenylbenzoate

Base Information

Chemical Name:Methyl 4-chloro-2-ethenylbenzoate
CAS No.:131001-87-1
Molecular Formula:C10H9ClO2
Molecular Weight:196.633
Hs Code.:
DSSTox Substance ID:DTXSID401299965
Nikkaji Number:J340.475G

Synonyms:SCHEMBL12165951;DTXSID401299965;Methyl 4-chloro-2-ethenylbenzoate;131001-87-1

Suppliers and Price of Methyl 4-chloro-2-ethenylbenzoate

Supply Marketing:

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

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Chemical Property of Methyl 4-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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 4-chloro-2-ethenylbenzoate

There total 3 articles about Methyl 4-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: 78.0%

: 74-85-1
ethene

: 57381-62-1
2-bromo-4-chlorobenzoic acid methyl ester

: 131001-87-1
methyl 2-ethenyl-4-chlorobenzoate

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

Reference yield: 42.0%

: 57381-62-1
2-bromo-4-chlorobenzoic acid methyl ester

: potassium vinyltrifluoroborate

: 131001-87-1
methyl 2-ethenyl-4-chlorobenzoate

Guidance literature:: 2-bromo-4-chlorobenzoic acid methyl ester; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; at 20 ℃; for 0.333333h;

potassium vinyltrifluoroborate; With potassium carbonate; In 1,2-dimethoxyethane; water; for 23h; Reflux;
DOI:10.1021/acs.joc.8b02885

Reference yield:

: 936-08-3
2-bromo-4-chlorobenzoic acid

: 131001-87-1
methyl 2-ethenyl-4-chlorobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sulfuric acid / 17 h / Reflux

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane / 0.33 h / 20 °C

2.2: 23 h / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sulfuric acid; In 1,2-dimethoxyethane;
DOI:10.1021/acs.joc.8b02885