2-(2-Nitrophenyl)phenol

Base Information

• Chemical Name: 2-(2-Nitrophenyl)phenol
• CAS No.: 20281-21-4
• Molecular Formula: C12H9 N O3
• Molecular Weight: 215.208
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID70355973
• Nikkaji Number: J3.433.843D
• Wikidata: Q82135079
• Mol file: 20281-21-4.mol

Synonyms:2-(2-nitrophenyl)phenol;20281-21-4;2-HYDROXY-2'-NITROBIPHENYL;2'-nitro-2-hydroxybiphenyl;SCHEMBL5707256;DTXSID70355973;2'-nitro[1,1'-biphenyl]-2-ol;FT-0612529;AG-777/25006395

Chemical Property of 2-(2-Nitrophenyl)phenol

Chemical Property:

• Boiling Point: 359.2oC at 760 mmHg
• Flash Point: 155.2oC
• PSA: 66.05000
• Density: 1.304g/cm3
• LogP: 3.49060
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.058243149
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99%min ^*data from raw suppliers

2'-NITRO[1,1'-BIPHENYL]-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2O)[N+](=O)[O-]

Technology Process of 2-(2-Nitrophenyl)phenol

There total 1 articles about 2-(2-Nitrophenyl)phenol 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: 23.0%

2-nitrophenyl bromide (577-19-5) + phenol (108-95-2,27073-41-2) → 4'-hydroxy-2-nitrobiphenyl (20281-23-6) + 2'-nitro-[1,1'-biphenyl]-2-ol (20281-21-4) + 1-nitro-2-phenoxy-benzene (2216-12-8)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 25 ℃; regioselective reaction;

DOI:10.1039/c4cc03090g

Reference yield: 82.0%

2'-nitro-[1,1'-biphenyl]-2-ol (20281-21-4) → dibenzofuran (132-64-9,214827-48-2)

Guidance literature:

With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 24h; Ambient temperature;

Reference yield: 76.0%

2'-nitro-[1,1'-biphenyl]-2-ol (20281-21-4) → 2′-amino-[1,1′-biphenyl]-2-ol (55589-69-0)

Guidance literature:

With iron; Acidic conditions;

DOI:10.1039/c5ra07328f

upstream raw materials:

2-nitrophenyl bromide

phenol

Downstream raw materials:

2′-amino-[1,1′-biphenyl]-2-ol

dibenzofuran

2'-benzyloxy-2-nitrobiphenyl

4,4-dimethoxy-2-(2'-nitrophenyl)cyclohexa-2,5-dienone

Refernces