2-(Methylamino)-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-(Methylamino)-5-nitrobenzoic acid
• CAS No.: 3484-33-1
• Molecular Formula: C8H8 N2 O4
• Molecular Weight: 196.163
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80349141
• Wikidata: Q82124216
• ChEMBL ID: CHEMBL288945
• Mol file: 3484-33-1.mol

Synonyms:2-(methylamino)-5-nitrobenzoic acid;3484-33-1;2-(METHYLAMINO)-5-NITROBENZOICACID;Oprea1_453802;MLS000774225;CHEMBL288945;SCHEMBL1531297;DTXSID80349141;2-methylamino-5-nitrobenzoic acid;5-nitro-N-methyl-anthranilic acid;HMS2752J05;MFCD00956206;STK368287;AKOS000214072;benzoic acid, 2-(methylamino)-5-nitro-;PS-10536;SMR000365079;CS-0307951;EN300-10218;AB00647250-06;Z57000501

Chemical Property of 2-(Methylamino)-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 4.82E-07mmHg at 25°C
• Boiling Point: 397.8°Cat760mmHg
• Flash Point: 194.4°C
• PSA: 95.15000
• Density: 1.472g/cm³
• LogP: 1.93090
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

2-(Methylamino)-5-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Technology Process of 2-(Methylamino)-5-nitrobenzoic acid

There total 10 articles about 2-(Methylamino)-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: 98.0%

4-methylamino-4H-1,2,4-triazole (21614-53-9) + 3-nitrobenzoic acid (121-92-6) → 2-(methylamino)-5-nitrobenzoic acid (3484-33-1)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 0.25h; Ambient temperature;

DOI:10.1021/jo00252a018

Reference yield:

N-Methylanthranilic acid (119-68-6) → 2-(methylamino)-5-nitrobenzoic acid (3484-33-1) + 2-(methylamino)-3-nitro-benzoic acid (124341-38-4)

Guidance literature:

With sulfuric acid; sodium nitrite; at 80 ℃;

Reference yield:

4-chloro-6-nitro-quinazoline (19815-16-8) → 2-(methylamino)-5-nitrobenzoic acid (3484-33-1)

Guidance literature:

Multi-step reaction with 4 steps

1: water; copper-powder; NH₃

3: 160 °C / anschliessend Erwaermen mit wss. HCl

4: aq. NaOH solution

With sodium hydroxide; ammonia; water; copper;

DOI:10.1039/jr9480000360

upstream raw materials:

1-methyl-6-nitro-1H-quinazolin-4-one

N-Methylanthranilic acid

2-chloro-5-nitrobenzoic acid

methylamine

Downstream raw materials:

N-Methyl-2-carbomethoxy-4-nitroanilin

2,6-dibromo-N-methyl-4-nitro-aniline

tetryl

5-chloro-2-methylamino-benzoic acid