2,2-Difluoro-2-(4-fluorophenyl)acetic acid

Base Information

• Chemical Name: 2,2-Difluoro-2-(4-fluorophenyl)acetic acid
• CAS No.: 94010-78-3
• Molecular Formula: C₈H₅F₃O₂
• Molecular Weight: 190.122
• Hs Code.: 2916399090
• European Community (EC) Number: 851-975-1
• DSSTox Substance ID: DTXSID00603919
• Nikkaji Number: J706.496I
• Wikidata: Q82501532
• Mol file: 94010-78-3.mol

Synonyms:2,2-difluoro-2-(4-fluorophenyl)acetic acid;94010-78-3;difluoro(4-fluorophenyl)acetic acid;MFCD11167795;2,2-Difluoro-2-(4-fluorophenyl)aceticAcid;SCHEMBL162450;DTXSID00603919;STK518697;AKOS002289557;AB63733;NCGC00340546-01;AS-43283;DA-27507;SY033022;CS-0142443;2,2-difluoro-2-(4-fluorophenyl) acetic acid;alpha,alpha-Difluoro-4-fluorophenylacetic acid;EN300-55774;AB01333723-02;2 pound not2-Difluoro-2-(4-fluorophenyl)acetic Acid;Z335859720

Chemical Property of 2,2-Difluoro-2-(4-fluorophenyl)acetic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.00210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.02416388
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

2,2-Difluoro-2-(4-fluorophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)(F)F)F
• Uses: 2,2-Difluoro-2-(4-fluorophenyl)acetic Acid (cas# 94010-78-3) is a compound useful in organic synthesis.

Technology Process of 2,2-Difluoro-2-(4-fluorophenyl)acetic acid

There total 8 articles about 2,2-Difluoro-2-(4-fluorophenyl)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: 95.0%

→ 2,2-difluoro-2-(4-fluorophenyl)acetic acid (94010-78-3)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 76.7%

ethyl α,α-difluoro-α-(p-fluorophenyl)acetate (175543-23-4) → 2,2-difluoro-2-(4-fluorophenyl)acetic acid (94010-78-3)

Guidance literature:

With sodium hydroxide; for 24h; Ambient temperature;

DOI:10.1016/0022-1139(95)03346-7

Reference yield: 69.0%

3-methyl-5-aminopyrazole (31230-17-8) + 4-chloro-2-(difluoro(4-fluorophenyl)methyl)quinazoline (1241914-82-8) → 2-(difluoro(4-fluorophenyl)methyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (1241914-78-2) + 2,2-difluoro-2-(4-fluorophenyl)acetic acid (94010-78-3)

Guidance literature:

With potassium iodide; DIEA; In water; N,N-dimethyl-formamide;

upstream raw materials:

ethyl α,α-difluoro-α-(p-fluorophenyl)acetate

ethyl 4-fluorobenzoylformate

3-methyl-5-aminopyrazole

4-chloro-2-(difluoro(4-fluorophenyl)methyl)quinazoline

Downstream raw materials:

6-(difluoro-(4-fluorophenyl)methyl)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine