3-Amino-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Amino-5-nitrobenzoic acid
• CAS No.: 618-84-8
• Molecular Formula: C7H6 N2 O4
• Molecular Weight: 182.136
• Hs Code.: 29224999
• Mol file: 618-84-8.mol

Synonyms:3-Amino-5-nitrobenzoicacid; NSC 44297

Chemical Property of 3-Amino-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 5.08E-09mmHg at 25°C
• Melting Point: 210-212°C
• Refractive Index: 1.5880 (estimate)
• Boiling Point: 453.7 °C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 228.2 °C
• PSA: 109.14000
• Density: 1.568 g/cm³
• LogP: 1.97960
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

3-AMINO-5-NITROBENZOIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3-Amino-5-nitrobenzoic Acid was used as a reagent in the synthesis of 2-anilino-7H-pyrrolopyrimidines which may act as PDK1 inhibitors. Also used in the preparation of 3,5-bis substituted anilinopyrimidines which are inhibitors of tyrosine kinase EpHB4.

Technology Process of 3-Amino-5-nitrobenzoic acid

There total 12 articles about 3-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: 85.0%

3,5-dinitrobenzoic acid (99-34-3) → 3-amino-5-nitro-benzoic acid (618-84-8)

Guidance literature:

With nickel; hydrazine hydrate; In ethanol; 1,2-dichloro-ethane; at 50 - 60 ℃; for 8h;

DOI:10.1246/bcsj.56.3159

Reference yield: 14.0%

3,5-dinitro-benzoic acid; compound with 2-(3,4-dimethoxy-phenyl)-ethylamine → 3-amino-5-nitro-benzoic acid (618-84-8) + 6,7-dimethoxy-1-(3,5-dinitrophenyl)-3,4-dihydroisoquinoline + N-[2-(3,4-dimethoxy-phenyl)-ethyl]-3,5-dinitro-benzamide (56205-54-0)

Guidance literature:

at 250 ℃; for 2h; Product distribution; Pyrolysis;

DOI:10.1002/poc.669

Reference yield:

3,5-dinitrobenzoic acid (99-34-3) → 3-amino-5-nitro-benzoic acid (618-84-8) + 3.5-diaminobenzoic acid (535-87-5)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 2h; under 750.075 Torr; chemoselective reaction;

DOI:10.1002/adsc.201000945

upstream raw materials:

3,5-dinitrobenzoic acid

ethyl 3-(N-acetylamino)-5-nitrobenzoate

ethanol

hydrazine hydrate

Downstream raw materials:

3-(N-ethylamino)-5-nitrobenzoic acid

3-glycoloylamino-5-nitro-benzoic acid

ethyl 3-amino-5-nitrobenzoate

3-(3-carboxy-propionylamino)-5-nitro-benzoic acid