2-Acetyloxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid

Base Information

Chemical Name:2-Acetyloxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CAS No.:220259-78-9
Molecular Formula:C₁₁H₈F₄O₄
Molecular Weight:280.176
Hs Code.:
DSSTox Substance ID:DTXSID701184195

Synonyms:220259-78-9;DTXSID701184195;alpha-(Acetyloxy)-4-fluoro-2-(trifluoromethyl)benzeneacetic acid

Suppliers and Price of 2-Acetyloxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid

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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-Acetyloxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:280.03587138
Heavy Atom Count:19
Complexity:355

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Acetyloxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid

There total 2 articles about 2-Acetyloxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic 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: 100.0%

: 64-19-7,77671-22-8
acetic acid

: 220259-76-7
2-trifluoromethyl-4-fluoromandelic acid

: 220259-78-9
O-acetyl-2-trifluoromethyl-4-fluoromandelic acid

Guidance literature:: With hydrogen bromide;
DOI:10.1021/jm9810405

Reference yield:

: 90176-80-0
2-(trifluoromethyl)-4-fluorobenzaldehyde

: 220259-78-9
O-acetyl-2-trifluoromethyl-4-fluoromandelic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) ZnI₂, 2.) 9 N aq. HCl / 1.) overnight, 2.) reflux, overnight

2: 100 percent / HBr

With hydrogenchloride; hydrogen bromide; zinc(II) iodide;
DOI:10.1021/jm9810405