2-(4-Chlorophenyl)-2-phenylacetic acid

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-phenylacetic acid
• CAS No.: 21771-88-0
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50404574
• Nikkaji Number: J2.285.259K
• Mol file: 21771-88-0.mol

Synonyms:2-(4-Chlorophenyl)-2-phenylacetic acid;21771-88-0;(4-chlorophenyl)(phenyl)acetic acid;SCHEMBL9337191;DTXSID50404574;AR3866;MFCD01631956;AKOS022218235;CS-0073145;BENZENEACETIC ACID,4-CHLORO-A-PHENYL-;EN300-239899;A911315;F2148-0239;Z1720542300;CIS-1,3-DIBENZYL-2-OXO-4,5-IMIDAZOLIDINEDICARBOXYLICACID

Chemical Property of 2-(4-Chlorophenyl)-2-phenylacetic acid

Chemical Property:

• Vapor Pressure: 2.02E-06mmHg at 25°C
• Melting Point: 116-117 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.608
• Boiling Point: 379 °C at 760 mmHg
• PKA: 4.62±0.10(Predicted)
• Flash Point: 183 °C
• PSA: 37.30000
• Density: 1.28 g/cm³
• LogP: 3.55650
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.0447573
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Chlorophenyl)-2-phenylacetic acid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)O

Technology Process of 2-(4-Chlorophenyl)-2-phenylacetic acid

There total 16 articles about 2-(4-Chlorophenyl)-2-phenylacetic 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: 90.0%

2-(p-Chlorophenyl)-2-phenylacetonitrile (4578-80-7) → α-(4-chlorophenyl)phenylacetic acid (21771-88-0)

Guidance literature:

With sulfuric acid; In water; for 8h; Heating;

DOI:10.1248/cpb.31.2632

Reference yield: 85.0%

MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) + chlorobenzene (108-90-7) → α-(4-chlorophenyl)phenylacetic acid (21771-88-0)

Guidance literature:

With tin(IV) chloride; at 70 ℃; for 8h;

DOI:10.1515/znb-2011-0116

Reference yield: 78.0%

carbon dioxide (124-38-9,18923-20-1) + 1-(4-chlorophenyl)-N,N,N-trimethyl-1-phenylmethanaminium trifluoromethanesulfonate → α-(4-chlorophenyl)phenylacetic acid (21771-88-0)

Guidance literature:

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; sodium carbonate; caesium carbonate; In N,N-dimethyl-formamide; at 25 - 30 ℃; for 36h; Schlenk technique; Glovebox; Sealed tube; Irradiation;

DOI:10.1021/jacs.8b08792

upstream raw materials:

MANDELIC ACID

chlorobenzene

p-chloromandelic acid

benzene

Downstream raw materials:

2-(4-chlorophenyl)-2-phenyl-4-pentenoic acid

2-[2-(4-Chloro-phenyl)-2-phenyl-acetoxy]-benzoic acid

chlorophacinone

C₂₃H₂₂ClNO

Refernces

• 1、 Yan, Si-Shun,Zhu, Lei,Ye, Jian-Heng,Zhang, Zhen,Huang, He,Zeng, Huiying,Li, Chao-Jun,Lan, Yu,Yu, Da-Gang. "Ruthenium-catalyzed umpolung carboxylation of hydrazones with CO2". . p. 4873 - 4878. Retrieved 2018/06/07.
• 2、 Sha, Sheng-Chun,Zhang, Jiadi,Walsh, Patrick J.. "Palladium-Catalyzed ?±-Arylation of Aryl Acetic Acid Derivatives via Dienolate Intermediates with Aryl Chlorides and Bromides". supporting information. p. 410 - 413. Retrieved 2015/03/04.