3,4-Diaminobenzoic acid

Base Information

• Chemical Name: 3,4-Diaminobenzoic acid
• CAS No.: 619-05-6
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 29163990
• European Community (EC) Number: 210-577-2
• UNII: 2H2G880K12
• DSSTox Substance ID: DTXSID00210920
• Nikkaji Number: J62.003C
• Wikidata: Q27254727
• ChEMBL ID: CHEMBL3305820
• Mol file: 619-05-6.mol

Synonyms:3,4-diaminobenzoic acid;3,4-diaminobenzoic acid dihydrochloride

Chemical Property of 3,4-Diaminobenzoic acid

Chemical Property:

• Appearance/Colour: brown powder
• Vapor Pressure: 1.61E-07mmHg at 25°C
• Melting Point: 215-218 °C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 411.8 °C at 760 mmHg
• PKA: 5.02±0.10(Predicted)
• Flash Point: 202.9 °C
• PSA: 89.34000
• Density: 1.428 g/cm³
• LogP: 1.71160
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Soluble in water (2.2 mg/ml at 20°C), DMF, and methanol (10 mg/ml).
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

3,4-Diaminobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)N)N
• Uses: 3,4-Diaminobenzoic acid undergoes cyclocondensations to form, for example, quinoxalines1 and benzimidazoles. It acts as a redox label for electrochemical detection of single base mismatches.

Technology Process of 3,4-Diaminobenzoic acid

There total 14 articles about 3,4-Diaminobenzoic 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: 95.0%

3,4-dinitrobenzoic acid (528-45-0) → 3,4-diaminobenzoic acid (619-05-6)

Guidance literature:

With sodium tetrahydroborate; In water; at 40 ℃; for 2h; chemoselective reaction;

DOI:10.1002/aoc.3975

Reference yield: 73.5%

4-amino-3-nitrobenzoic acid (1588-83-6) → 3,4-diaminobenzoic acid (619-05-6)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

3-methoxy-4-hydroxybenzoic acid (121-34-6) → 3,4-diaminobenzoic acid (619-05-6)

Guidance literature:

With ammonia; metal catalyst;

upstream raw materials:

3-amino-4-nitrobenzoic acid

4-amino-3-nitrobenzoic acid

hydrogenchloride

3-nitro-4-acetamidobenzoic acid

Downstream raw materials:

benzo[c][1,2,5]thiadiazole-5-carboxylic acid

2,3-dimethyl-6-quinoxalinecarboxylic acid

dibenzo[a,c]phenazine-2-carboxylic acid

2-mercaptobenzoimidazole-5-carboxylic acid

Refernces

• 1、 Taheri-Ledari, Reza,Mirmohammadi, Seyedeh Shadi,Valadi, Kobra,Maleki, Ali,Shalan, Ahmed Esmail. "Convenient conversion of hazardous nitrobenzene derivatives to aniline analogues by Ag nanoparticles, stabilized on a naturally magnetic pumice/chitosan substrate". . p. 43670 - 43681. Retrieved 2020/12/25.
• 2、 -. "Antibody-drug conjugate with acidic self-stabilizing joint". Paragraph 0226; 0227; 0228; 0229. . Retrieved 2018/09/14.