2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride

Base Information

• Chemical Name: 2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride
• CAS No.: 128834-02-6
• Molecular Formula: C₉H₁₀BrNO₂*ClH
• Molecular Weight: 280.549
• European Community (EC) Number: 841-361-1
• Mol file: 128834-02-6.mol

Synonyms:2-amino-3-(3-bromophenyl)propanoic acid hydrochloride;128834-02-6;2-amino-3-(3-bromophenyl)propanoic acid;hydrochloride;SCHEMBL20502134;CS-0235514;EN300-157629;2-amino-3-(3-bromophenyl)propanoicacidhydrochloride;2-amino-3-(3-bromophenyl) propanoic acid hydrochloride;Z1770192944

Chemical Property of 2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 278.96617
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride

There total 2 articles about 2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride 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: 82.0%

diethyl (acetylamino)<(3-bromophenyl)methyl>propanedioate (15017-44-4) → 2-amino-3-(3-bromophenyl)propanoic acid hydrochloride (128834-02-6)

Guidance literature:

With hydrogenchloride; water; acetic acid; at 100 ℃; for 18h; Inert atmosphere;

DOI:10.1007/s10593-020-02623-6

Reference yield:

meta-bromobenzyl bromide (823-78-9) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → 2-amino-3-(3-bromophenyl)propanoic acid hydrochloride (128834-02-6)

Guidance literature:

With hydrogenchloride; sodium ethanolate; Yield given. Multistep reaction; 1.) ethanol, reflux, 12 h, 2.) reflux, 12 h;

DOI:10.1016/0223-5234(90)90162-V

Reference yield: 98.0%

methanol (67-56-1) + 2-amino-3-(3-bromophenyl)propanoic acid hydrochloride (128834-02-6) → methyl 2-amino-3-(3-bromophenyl)propanoate hydrochloride

Guidance literature:

With thionyl chloride; at 60 ℃; for 3h; Inert atmosphere;

DOI:10.1007/s10593-020-02623-6

upstream raw materials:

meta-bromobenzyl bromide

2-acetylaminomalonic acid diethyl ester

diethyl (acetylamino)<(3-bromophenyl)methyl>propanedioate