2,5-Diaminobenzoxazole

Base Information

• Chemical Name: 2,5-Diaminobenzoxazole
• CAS No.: 64037-26-9
• Molecular Formula: C₇H₇N₃O
• Molecular Weight: 149.152
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80214047
• Nikkaji Number: J67.909G
• Wikidata: Q83089772
• Mol file: 64037-26-9.mol

Synonyms:2,5-Diaminobenzoxazole;64037-26-9;2,5-Diaminobenzoxazol;1,3-benzoxazole-2,5-diamine;2,5-Benzoxazolediamine;BENZOXAZOLE, 2,5-DIAMINO-;SCHEMBL6398262;DTXSID80214047;AC6531;MFCD01664168;AKOS006360243;LS-42177;SY130062;A914943;4964-38-9

Chemical Property of 2,5-Diaminobenzoxazole

Chemical Property:

• Vapor Pressure: 5.54E-06mmHg at 25°C
• Boiling Point: 380.2°Cat760mmHg
• Flash Point: 183.7°C
• PSA: 78.07000
• Density: 1.432g/cm³
• LogP: 2.15460
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.058911855
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98% ^*data from raw suppliers

1,3-BENZOXAZOLE-2,5-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)N=C(O2)N

Technology Process of 2,5-Diaminobenzoxazole

There total 2 articles about 2,5-Diaminobenzoxazole 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:

5-nitro-benzooxazol-2-ylamine (64037-16-7) → benzooxazole-2,5-diamine (64037-26-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; Ambient temperature;

DOI:10.1002/jps.2600530518

Reference yield:

2-hydroxy-5-nitroaniline (99-57-0) → benzooxazole-2,5-diamine (64037-26-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10 percent Pd/C / methanol / 15 h / 760 Torr

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.3987/com-03-9810

Reference yield:

benzooxazole-2,5-diamine (64037-26-9) → 5-amino-2-benzoxazolinone (14733-77-8)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1002/jps.2600530518

upstream raw materials:

5-nitro-benzooxazol-2-ylamine

2-hydroxy-5-nitroaniline

Downstream raw materials:

5-amino-2-benzoxazolinone

Refernces