alpha-Bromo-4-chlorophenylacetic acid

Base Information

• Chemical Name: alpha-Bromo-4-chlorophenylacetic acid
• CAS No.: 3381-73-5
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Hs Code.: 29163990
• European Community (EC) Number: 626-270-5
• DSSTox Substance ID: DTXSID10440812
• Mol file: 3381-73-5.mol

Synonyms:3381-73-5;2-bromo-2-(4-chlorophenyl)acetic Acid;alpha-Bromo-4-chlorophenylacetic acid;SCHEMBL75753;AMY2964;DTXSID10440812;KKOAAWLOOHBFQP-UHFFFAOYSA-N;Bromo-(4-chlorophenyl)acetic acid;BCP05934;bromo-(4-chloro-phenyl)acetic acid;bromo-(4-chloro-phenyl)-acetic acid;MFCD08276760;AKOS015890587;alpha -Bromo-4-chlorophenylacetic acid;FS-4335;alpha-bromo-(p-chloro)phenylacetic acid;alpha-bromo-(p-chlorophenyl)acetic acid;alpha-Bromo-4-chlorophenylacetic acid, 97%;B3367;FT-0696046;alpha-bromo-alpha-(p-chlorophenyl)acetic acid;alpha-bromo-alpha-(p-chlorophenyl) acetic acid;J-019331

Chemical Property of alpha-Bromo-4-chlorophenylacetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 95-99 °C
• Refractive Index: 1.618
• Boiling Point: 326.099 °C at 760 mmHg
• PKA: 2.27±0.10(Predicted)
• Flash Point: 151.02 °C
• PSA: 37.30000
• Density: 1.748 g/cm³
• LogP: 2.86060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

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

α-Bromo-4-chlorophenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)Br)Cl
• Uses: α-Bromo-?4-?chlorophenylacetic acid is a useful reactant or reagent in organic synthesis.

Technology Process of alpha-Bromo-4-chlorophenylacetic acid

There total 6 articles about alpha-Bromo-4-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: 71.0%

4-chlorophenylacetic Acid (1878-66-6) → 2-bromo-2-(4-chlorophenyl)acetic acid (3381-73-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; Heating / reflux;

Reference yield: 70.0%

3-(4-chlorophenyl)oxirane-2,2-dicarbonitrile (33512-03-7) → 2-bromo-2-(4-chlorophenyl)acetic acid (3381-73-5)

Guidance literature:

With hydrogen bromide; In tetrahydrofuran; for 3h; Heating;

DOI:10.1016/S0040-4020(01)90607-6

Reference yield:

2-(4-Chlorophenyl)glycine (6212-33-5,7292-70-8) → 2-bromo-2-(4-chlorophenyl)acetic acid (3381-73-5)

Guidance literature:

2-(4-Chlorophenyl)glycine; With hydrogen bromide; In water; at 0 ℃; for 0.166667h;

With sodium nitrite; In water; at 0 - 20 ℃; for 3.5h;

DOI:10.1016/j.ejmech.2018.04.034

upstream raw materials:

4-chlorophenylacetic Acid

3-(4-chlorophenyl)oxirane-2,2-dicarbonitrile

2-(4-Chlorophenyl)glycine

Downstream raw materials:

2-chloro-benzaldehyde [5-(4-chloro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

4-chloro-benzaldehyde [5-(4-chloro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

5-(4-chloro-phenyl)-2-(3-methyl-anilino)-thiazol-4-one

5-(4-chloro-phenyl)-2-(2-methyl-anilino)-thiazol-4-one

Refernces

• 1、 Jiao, Lihui,Bu, Liwei,Ye, Xinyi,Zhao, Xiaowei,Jiang, Zhiyong. "Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones". . p. 9620 - 9629. Retrieved 2016/11/02.
• 2、 -. "Process for the stereoselective preparation of (-)-halofenate and derivatives thereof". Page/Page column 12-13. . Retrieved 2008/06/13.