2-Chloro-2-phenylacetic acid

Base Information

• Chemical Name: 2-Chloro-2-phenylacetic acid
• CAS No.: 4755-72-0
• Molecular Formula: C₈H₇ClO₂
• Molecular Weight: 170.595
• Hs Code.: 2916399090
• European Community (EC) Number: 225-284-5
• NSC Number: 175545,152981
• DSSTox Substance ID: DTXSID101023256
• Nikkaji Number: J262.435D
• Mol file: 4755-72-0.mol

Synonyms:2-chloro-2-phenylacetic acid;4755-72-0;Chloro(phenyl)acetic acid;a-chlorophenylacetic acid;Chlorophenylacetic acid;alpha-CHLOROPHENYLACETIC ACID;MFCD00037753;EINECS 225-284-5;alpha-Chlorophenylacetic acid;alpha -Chlorophenylacetic acid;SCHEMBL664900;DTXSID101023256;alpha-chloro-alpha-phenylacetic acid;AM9803;NSC152981;NSC175545;AKOS000268660;AKOS016039394;alpha-Chlorophenylacetic acid, 97.0%;DS-3707;NSC 152981;NSC 175545;NSC-152981;NSC-175545;s11957;SY110356;CS-0040444;FT-0658317;EN300-21393;Z104495824

Chemical Property of 2-Chloro-2-phenylacetic acid

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 282 °C at 760 mmHg
• PKA: 2.40±0.10(Predicted)
• Flash Point: 124.3 °C
• PSA: 37.30000
• Density: 1.322 g/cm³
• LogP: 2.05110
• Storage Temp.: Refrigerated.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

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

2-Chloro-2-phenylaceticacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Chloro-2-phenylacetic acid

There total 38 articles about 2-Chloro-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: 60.0%

2,2,2-trichloro-1-phenylethanol (2000-43-3) → Chloro-phenyl-acetic acid (4755-72-0,39266-56-3)

Guidance literature:

With potassium hydroxide; In water; at 0 ℃; for 72h; Product distribution;

Reference yield: 47.0%

carbon dioxide (124-38-9,18923-20-1) + benzyl chloride (100-44-7) → phenylacetic acid (103-82-2) + Chloro-phenyl-acetic acid (4755-72-0,39266-56-3)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In acetonitrile; Electrolysis;

DOI:10.1016/j.tetlet.2006.01.113

Reference yield: 28.0%

benzylidene dichloride (98-87-3) + carbon dioxide (124-38-9,18923-20-1) → phenylacetic acid (103-82-2) + Chloro-phenyl-acetic acid (4755-72-0,39266-56-3) + phenylmalonic acid (2613-89-0)

Guidance literature:

With Al(III) salt; tetrabutylammomium bromide; In N,N-dimethyl-formamide; under 18240 Torr; anode = Al 99.9percent ; cathode = Zn 99percent ; cathodic current density 100 A m_-2;

DOI:10.1016/S0040-4039(01)81424-6

upstream raw materials:

2-chloro-2-phenylacetonitrile

MANDELIC ACID

ethyl 2-chloro-2-phenylacetate

methanol

Downstream raw materials:

1-benzyl-2-methylpyridinium chloride

rac-methoxyphenylacetic acid

(R)-methoxyphenylacetic acid

(rac)-phenyl(propan-2-yloxy)ethanoic acid

Refernces

• 1、 -. "Α-chloro -4 fluoro phenyl benzylone method for the synthesis of". . . Retrieved 2017/04/28.
• 2、 Otero, M. Dolores,Batanero, Belen,Barba, Fructuoso. "CO2 anion-radical in organic carboxylations". . p. 2171 - 2173. Retrieved 2007/10/03.