4-Trifluoromethylbenzoic acid, allyl ester

Base Information

Chemical Name:4-Trifluoromethylbenzoic acid, allyl ester
CAS No.:329-81-7
Molecular Formula:C₁₁H₉F₃O₂
Molecular Weight:230.186
Hs Code.:
DSSTox Substance ID:DTXSID401270111
Nikkaji Number:J2.802.329D

Synonyms:329-81-7;DTXSID401270111;Allyl 4-(trifluoromethyl)benzoate #;AKOS017090419;4-Trifluoromethylbenzoic acid, allyl ester;2-Propen-1-yl 4-(trifluoromethyl)benzoate;4-(Trifluoromethyl)benzoic acid allyl ester

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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 4-Trifluoromethylbenzoic acid, allyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:230.05546401
Heavy Atom Count:16
Complexity:252

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-Trifluoromethylbenzoic acid, allyl ester

There total 1 articles about 4-Trifluoromethylbenzoic acid, allyl 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: 86.0%

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 107-18-6
allyl alcohol

: 329-81-7
allyl 4-(trifluoromethyl)benzoate

Guidance literature:: for 4h; Inert atmosphere; Reflux;
DOI:10.1016/j.tet.2009.09.111

Reference yield: 98.0%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel ⁽⁰⁾

: 329-81-7
allyl 4-(trifluoromethyl)benzoate

: {(C₃H₅)Ni(OOC(C₆H₄)CF₃)}2

Guidance literature:: In diethyl ether; under N2, soln. of benzoate was added to soln. of Ni-complex, stirred for 1 h; filtered, solvent was removed (in vacuo), washed (cold (-40°C) hexanes), dried; elem. anal.;
DOI:10.1021/ja00073a028