4-Chloro-2-(prop-2-en-1-yl)benzoic acid

Base Information

Chemical Name:4-Chloro-2-(prop-2-en-1-yl)benzoic acid
CAS No.:61436-77-9
Molecular Formula:C10H9ClO2
Molecular Weight:196.633
Hs Code.:
DSSTox Substance ID:DTXSID70493147
Wikidata:Q82339635

Synonyms:61436-77-9;4-Chloro-2-(prop-2-en-1-yl)benzoic acid;SCHEMBL2541137;DTXSID70493147

Suppliers and Price of 4-Chloro-2-(prop-2-en-1-yl)benzoic acid

Supply Marketing:

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

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Chemical Property of 4-Chloro-2-(prop-2-en-1-yl)benzoic acid

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
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:: SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-2-(prop-2-en-1-yl)benzoic acid

There total 3 articles about 4-Chloro-2-(prop-2-en-1-yl)benzoic acid 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: 79.0%

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

: 106-95-6
allyl bromide

: 61436-77-9
2-allyl-4-chlorobenzoic acid

Guidance literature:: 2-bromo-4-chlorobenzoic acid; With methylmagnesium bromide; In tetrahydrofuran; at -30 ℃; for 0.0833333h; Inert atmosphere;

With isopropylmagnesium chloride; In tetrahydrofuran; at -30 ℃; for 1h; Inert atmosphere;

allyl bromide; Further stages;
DOI:10.1002/chem.201403561

Reference yield:

: 13421-13-1
4-chloro-2-iodobenzoic acid

: 106-95-6
allyl bromide

: 61436-77-9
2-allyl-4-chlorobenzoic acid

Guidance literature:: 4-chloro-2-iodobenzoic acid; With copper(I) cyanide di(lithium chloride); isopropylmagnesium chloride; In tetrahydrofuran; at -40 ℃; for 1h;

allyl bromide; In tetrahydrofuran; at -40 - 25 ℃;

With lithium hydroxide monohydrate; at 25 ℃;
DOI:10.1039/d0ob00303d