2-(Difluoromethyl)-4-methylbenzoic acid

Base Information

Chemical Name:2-(Difluoromethyl)-4-methylbenzoic acid
CAS No.:120985-65-1
Molecular Formula:C₉H₈F₂O₂
Molecular Weight:186.158
Hs Code.:
DSSTox Substance ID:DTXSID501281525

Synonyms:2-(Difluoromethyl)-4-methylbenzoic acid;120985-65-1;NRCBKOAHJKFRNB-UHFFFAOYSA-N;DTXSID501281525;EN300-6509370

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

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Chemical Property of 2-(Difluoromethyl)-4-methylbenzoic acid

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:186.04923582
Heavy Atom Count:13
Complexity:194

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)C(=O)O)C(F)F

Technology Process of 2-(Difluoromethyl)-4-methylbenzoic acid

There total 2 articles about 2-(Difluoromethyl)-4-methylbenzoic 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: 52.0%

: 120985-57-1
1-carboxy-2-difluoromethyl-4-methyl-4,5-dibromo-1-cyclohexene

: 120985-65-1
2-difluoromethyl-4-methylbenzoic acid

Guidance literature:: With sodium hydroxide; In water; for 5h; Ambient temperature;
DOI:10.1016/S0022-1139(00)83972-X

Reference yield:

: 120802-02-0
1-carboxy-2-difluoromethyl-4-methyl-1,4-cyclohexadiene

: 120985-65-1
2-difluoromethyl-4-methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: bromine / CCl₄ / 2 h / Ambient temperature

2: 52 percent / NaOH / H₂O / 5 h / Ambient temperature

With sodium hydroxide; bromine; In tetrachloromethane; water;
DOI:10.1016/S0022-1139(00)83972-X