2-(Carboxymethyl-amino)-6-chloro-benzoic acid

Base Information

• Chemical Name: 2-(Carboxymethyl-amino)-6-chloro-benzoic acid
• CAS No.: 729597-47-1
• Molecular Formula: C₉H₈ClNO₄
• Molecular Weight: 229.62
• DSSTox Substance ID: DTXSID401252953
• Mol file: 729597-47-1.mol

Synonyms:729597-47-1;2-(CARBOXYMETHYL-AMINO)-6-CHLORO-BENZOIC ACID;SCHEMBL7824620;DTXSID401252953;AKOS024332091;2-[(Carboxymethyl)amino]-6-chlorobenzoic acid

Chemical Property of 2-(Carboxymethyl-amino)-6-chloro-benzoic acid

Chemical Property:

• Vapor Pressure: 4.44E-11mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 229.0141854
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(Carboxymethyl-amino)-6-chloro-benzoic acid

There total 3 articles about 2-(Carboxymethyl-amino)-6-chloro-benzoic 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:

4-chloroisatin (6344-05-4) → N-(3-chloro-2-carboxy-phenyl)glycine (729597-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH; aqueous H₂O₂

2: aqueous sodium carbonate

With sodium hydroxide; dihydrogen peroxide; sodium carbonate;

Reference yield:

2-chloro-6-aminobenzoic acid (2148-56-3) + chloroacetic acid (79-11-8) → N-(3-chloro-2-carboxy-phenyl)glycine (729597-47-1)

Guidance literature:

With sodium carbonate;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-chloro-6-aminobenzoic acid (2148-56-3) → N-(3-chloro-2-carboxy-phenyl)glycine (729597-47-1)

Guidance literature:

Umsetzen des Reaktionsproduktes mit Kaliumcyanid und Verseifen des erhaltenen Nitrils;

upstream raw materials:

formaldehyd

2-chloro-6-aminobenzoic acid

chloroacetic acid

4-chloroisatin

Downstream raw materials:

3-bromo-6-(carboxymethyl-amino)-2-chloro-benzoic acid

3-acetoxy-1-acetyl-4-chloro-indole