5,6-Dinitro-2-phenyl-1,3-benzoxazole

Base Information

• Chemical Name: 5,6-Dinitro-2-phenyl-1,3-benzoxazole
• CAS No.: 62164-85-6
• Molecular Formula: C13H7N3O5
• Molecular Weight: 285.216
• DSSTox Substance ID: DTXSID10488754
• Wikidata: Q82331617
• Mol file: 62164-85-6.mol

Synonyms:5,6-Dinitro-2-phenyl-1,3-benzoxazole;62164-85-6;5,6-dinitro-2-phenylbenzoxazole;DTXSID10488754

Chemical Property of 5,6-Dinitro-2-phenyl-1,3-benzoxazole

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 285.03857033
• Heavy Atom Count: 21
• Complexity: 415

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 5,6-Dinitro-2-phenyl-1,3-benzoxazole

There total 3 articles about 5,6-Dinitro-2-phenyl-1,3-benzoxazole 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:

2-phenylbenzo[d]oxazole (833-50-1) → 5,6-dinitro-2-phenyl-benzooxazole (62164-85-6)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1007/BF00760001

Reference yield:

2-amino-phenol (95-55-6) → 5,6-dinitro-2-phenyl-benzooxazole (62164-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid

2: HNO₃, H₂SO₄

With PPA; sulfuric acid; nitric acid;

DOI:10.1007/BF00760001

Reference yield:

benzoic acid (65-85-0,8013-63-6) → 5,6-dinitro-2-phenyl-benzooxazole (62164-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid

2: HNO₃, H₂SO₄

With PPA; sulfuric acid; nitric acid;

DOI:10.1007/BF00760001

upstream raw materials:

2-phenylbenzo[d]oxazole

2-amino-phenol

benzoic acid