2-Chlorophenylacetic acid

Base Information

• Chemical Name: 2-Chlorophenylacetic acid
• CAS No.: 2444-36-2
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 29163990
• European Community (EC) Number: 219-482-0
• NSC Number: 4613
• UNII: 7BF49L8BR5
• DSSTox Substance ID: DTXSID50179194
• Nikkaji Number: J62.891C
• Wikidata: Q63408948
• Mol file: 2444-36-2.mol

Synonyms:2-CHLOROPHENYLACETIC ACID;2444-36-2;2-(2-chlorophenyl)acetic acid;o-Chlorophenylacetic acid;(2-Chlorophenyl)acetic acid;2-Chlorophenylaceticacid;Benzeneacetic acid, 2-chloro-;(o-Chlorophenyl)acetic acid;Acetic acid, (o-chlorophenyl)-;NSC 4613;2-chlorobenzeneacetic acid;MFCD00004317;o-chlorophenyl acetic acid;7BF49L8BR5;CCRIS 8621;NSC-4613;EINECS 219-482-0;AI3-20877;2-chloro-benzeneacetic acid;chlorobenzene-acetic acid;o-chlorophenyl-acetic acid;UNII-7BF49L8BR5;(2-chlorophenyl) acetic acid;(2-chlorophenyl)-acetic acid;SCHEMBL194831;(2-chloro-phenyl)-acetic acid;2-Chlorophenylacetic acid, 99%;BDBM16424;DTXSID50179194;NSC4613;STR02235;STK428920;AKOS000120650;BS-3930;CS-W020113;SY002858;A5034;AM20060570;FT-0611998;EN300-17291;D87878;W-107316;Q63408948;Z56911957;F2191-0042

Chemical Property of 2-Chlorophenylacetic acid

Chemical Property:

• Appearance/Colour: White to light yellow powder
• Vapor Pressure: 0.000751mmHg at 25°C
• Melting Point: 92-95 °C(lit.)
• Refractive Index: 1.5660 (estimate)
• Boiling Point: 294.1 °C at 760 mmHg
• PKA: 4.07(at 25℃)
• Flash Point: 131.7 °C
• PSA: 37.30000
• Density: 1.324 g/cm³
• LogP: 1.96710
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

2-Chlorophenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)Cl
• Uses: 2-Chlorophenylacetic acid has been used in the synthesis of phenylacetoxy cellulosics and its halogenated derivatives.

Technology Process of 2-Chlorophenylacetic acid

There total 41 articles about 2-Chlorophenylacetic 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: 98.0%

2-(2-chloro-phenyl)-1-pyrrolidin-1-yl-ethanone (512787-31-4) → 2'-chloro-benzeneacetic acid (2444-36-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 38h; Heating;

DOI:10.1016/S0040-4020(02)01324-8

Reference yield: 94.0%

2-chlorophenylacetic acid ethyl ester (40061-54-9) → 2'-chloro-benzeneacetic acid (2444-36-2)

Guidance literature:

With water; sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 2h; pH=10 - 14;

Reference yield: 93.7%

1-chloro-2-(chloromethyl)benzene (611-19-8) + butan-1-ol (71-36-3) → 2'-chloro-benzeneacetic acid (2444-36-2)

Guidance literature:

butan-1-ol; With cobalt(II) acetate; cobalt(II) nitrate; at 40 ℃; for 2h; under 3750.38 Torr; Autoclave;

1-chloro-2-(chloromethyl)benzene; With sodium hydroxide; In water; at 40 ℃; for 12h; under 2250.23 Torr; Concentration; Pressure; Temperature; Autoclave;

upstream raw materials:

1-methyl-4-nitrosobenzene

2-(2-chlorophenyl)acetamide

2-Chlorophenylacetonitrile

4-(2-chlorobenzylidene)-2-phenyl-5-oxazolone

Downstream raw materials:

2-chlorophenylacetone

methyl (2-chlorophenyl)acetate

1t,4t-bis-(2-chloro-phenyl)-buta-1,3-diene

2-oxoindole

Refernces

• 1、 Fapojuwo, Dele Peter,Maqunga, Nomathamsanqa Prudence,Meijboom, Reinout,Mogudi, Batsile M.,Molokoane, Pule Petrus,Onisuru, Oluwatayo Racheal,Oseghale, Charles O.. "Alkali-modified heterogeneous Pd-catalyzed synthesis of acids, amides and esters from aryl halides using formic acid as the CO precursor". . p. 26937 - 26948. Retrieved 2021/08/17.
• 2、 -. "Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by carbon dioxide". Paragraph 0038-0039. . Retrieved 2020/03/06.