2-Bromo-3-(2-chlorophenyl)propanoic acid

Base Information

• Chemical Name: 2-Bromo-3-(2-chlorophenyl)propanoic acid
• CAS No.: 90725-44-3
• Molecular Formula: C9H8BrClO2
• Molecular Weight: 263.518
• NSC Number: 101129
• DSSTox Substance ID: DTXSID40295312
• Mol file: 90725-44-3.mol

Synonyms:2-bromo-3-(2-chlorophenyl)propanoic acid;90725-44-3;NSC101129;SCHEMBL21054933;DTXSID40295312;MFCD00508229;AKOS016371156;NSC-101129;CS-0098507;D75953

Chemical Property of 2-Bromo-3-(2-chlorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 5.42E-05mmHg at 25°C
• Boiling Point: 333.4°Cat760mmHg
• Flash Point: 155.4°C
• Density: 1.658g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 261.93962
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-3-(2-chlorophenyl)propanoic acid

There total 4 articles about 2-Bromo-3-(2-chlorophenyl)propanoic 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: 88.0%

2-bromo-3-(2-chlorophenyl)propionic acid ethyl ester (326100-58-7) → 2-bromo-3-(2-chlorophenyl)propanoic acid (90725-44-3)

Guidance literature:

With sodium hydroxide; In methanol; water;

DOI:10.1134/S1070428021040059

Reference yield:

rac-2-chlorophenylalanine (14091-11-3,80126-50-7) → 2-bromo-3-(2-chlorophenyl)propanoic acid (90725-44-3)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 0 - 25 ℃;

Reference yield:

o-chloroaniline (95-51-2) → 2-bromo-3-(2-chlorophenyl)propanoic acid (90725-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium nitrite; hydrogen bromide / water / 0 °C

1.2: 20 - 40 °C

2.1: sodium hydroxide / water; methanol

With hydrogen bromide; sodium hydroxide; sodium nitrite; In methanol; water; 1.2: |Meerwein Arylation;

DOI:10.1134/S1070428021040059

upstream raw materials:

rac-2-chlorophenylalanine

o-chloroaniline

2-bromo-3-(2-chlorophenyl)propionic acid ethyl ester

Downstream raw materials:

3,4-Dichlor-benzo--thiophen-2-carbonsaeurechlorid

Refernces

• 1、 -. "NSD FAMILY INHIBITORS AND METHODS OF TREATMENT THEREWITH". Paragraph 0412. . Retrieved 2019/07/03.