2-[(Carboxymethyl)amino]-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-[(Carboxymethyl)amino]-5-nitrobenzoic acid
• CAS No.: 26491-02-1
• Molecular Formula: C9H8 N2 O6
• Molecular Weight: 240.172
• NSC Number: 125372
• DSSTox Substance ID: DTXSID60298688
• Wikidata: Q82040665

Synonyms:26491-02-1;2-[(carboxymethyl)amino]-5-nitrobenzoic acid;NSC125372;DTXSID60298688;NSC-125372;2-(Carboxymethyl-amino)-5-nitro-benzoic acid

Chemical Property of 2-[(Carboxymethyl)amino]-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.57E-13mmHg at 25°C
• Boiling Point: 563.4°C at 760 mmHg
• Flash Point: 294.5°C
• Density: 1.663g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 240.03823598
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCC(=O)O

Technology Process of 2-[(Carboxymethyl)amino]-5-nitrobenzoic acid

There total 3 articles about 2-[(Carboxymethyl)amino]-5-nitrobenzoic 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: 97.0%

2-chloro-5-nitrobenzoic acid (2516-96-3) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-[(carboxymethyl)amino]-5-nitrobenzoic acid (26491-02-1)

Guidance literature:

With copper; potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 0.416667h; ultrasonic irradiation;

DOI:10.1002/ejoc.200700281

Reference yield:

glycine (56-40-6,18875-39-3,25718-94-9) + 2-bromo-5-nitrobenzoic acid (943-14-6) → 2-[(carboxymethyl)amino]-5-nitrobenzoic acid (26491-02-1)

Guidance literature:

With potassium carbonate; potassium hydroxide;

DOI:10.1016/j.tetlet.2016.10.099

Reference yield:

→ 2-[(carboxymethyl)amino]-5-nitrobenzoic acid (26491-02-1)

Guidance literature:

With nitric acid; at 15 - 20 ℃;

upstream raw materials:

2-chloro-5-nitrobenzoic acid

glycine

2-bromo-5-nitrobenzoic acid

Downstream raw materials:

5-Nitro-3-acetoxy-1-acetyl-indol

N-acetyl-4-nitrophenylglycine-2-carboxylic acid

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