2-Chloro-4-trifluoromethylphenylacetic acid

Base Information

• Chemical Name: 2-Chloro-4-trifluoromethylphenylacetic acid
• CAS No.: 601513-26-2
• Molecular Formula: C9H6ClF3O2
• Molecular Weight: 238.594
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20477336
• Mol file: 601513-26-2.mol

Synonyms:601513-26-2;2-CHLORO-4-TRIFLUOROMETHYLPHENYLACETIC ACID;2-chloro-4-(trifluoromethyl)phenylacetic acid;2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid;2-[2-chloro-4-(trifluoromethyl)phenyl]acetic acid;2-Chloro-4-(trifluoromethyl)-benzeneacetic acid;Benzeneacetic acid, 2-chloro-4-(trifluoromethyl)-;SCHEMBL838070;DTXSID20477336;BZA51326;CL8959;MFCD13194288;AKOS023819700;AS-46153;CS-0100012;(2-Chloro-4-trifluoromethylphenyl)-acetic acid;2-(chloro-4-trifluoromethylphenyl)-acetic acid;[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]ACETIC ACID

Chemical Property of 2-Chloro-4-trifluoromethylphenylacetic acid

Chemical Property:

• Melting Point: 108-111℃
• Boiling Point: 282.2±35.0 °C(Predicted)
• PKA: 3.76±0.10(Predicted)
• PSA: 37.30000
• Density: 1.469±0.06 g/cm3(Predicted)
• LogP: 2.98590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 238.0008416
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-4-(trifluoromethyl)phenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)CC(=O)O

Technology Process of 2-Chloro-4-trifluoromethylphenylacetic acid

There total 5 articles about 2-Chloro-4-trifluoromethylphenylacetic 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:

2-chloro-4-(trifluoromethyl)phenylacetic acid tert-butyl-ester (601513-27-3) → 2-[2-chloro-4-(trifluoromethyl)phenyl]acetic acid (601513-26-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

acetic acid tert-butyl ester (540-88-5) + 2-chloro-1-iodo-4-(trifluoromethyl)benzene (141738-80-9) + DavePhos (213697-53-1) → 2-[2-chloro-4-(trifluoromethyl)phenyl]acetic acid (601513-26-2) + 2-chloro-4-(trifluoromethyl)phenylacetic acid tert-butyl-ester (601513-27-3)

Guidance literature:

With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; Pd₂dba3; In toluene;

Reference yield:

2-chloro-4-(trifluoromethyl)phenylacetic acid tert-butyl-ester (601513-27-3) + trifluoroacetic acid (76-05-1) → 2-[2-chloro-4-(trifluoromethyl)phenyl]acetic acid (601513-26-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 7h;

upstream raw materials:

2-chloro-4-(trifluoromethyl)phenylacetic acid tert-butyl-ester

trifluoroacetic acid

acetic acid tert-butyl ester

2-chloro-1-iodo-4-(trifluoromethyl)benzene

Downstream raw materials:

methyl 2-(2-chloro-4-(trifluoromethyl)phenyl)acetate

3-(2-Chloro-4-trifluoromethylphenyl)-4-(4-hydroxybenzyl)-7-methoxy-chromen-2-one