3-Biphenylamine, 4'-nitro-

Base Information

• Chemical Name: 3-Biphenylamine, 4'-nitro-
• CAS No.: 53059-29-3
• Molecular Formula: C12H10 N2 O2
• Molecular Weight: 214.224
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10201122
• Nikkaji Number: J89.743D
• Wikidata: Q83074308
• ChEMBL ID: CHEMBL164296
• Mol file: 53059-29-3.mol

Synonyms:4'-Nitro-3-biphenylamine;53059-29-3;3-BIPHENYLAMINE, 4'-NITRO-;3-Amino-4'-nitrobiphenyl;BRN 2974094;4'-Nitrobiphenyl-3-amine;CHEMBL164296;DTXSID10201122;LS-44152

Chemical Property of 3-Biphenylamine, 4'-nitro-

Chemical Property:

• Boiling Point: 422.2°Cat760mmHg
• Flash Point: 209.2°C
• PSA: 71.84000
• Density: 1.268g/cm³
• LogP: 3.94840
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

4'-NITRO-3-BIPHENYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Biphenylamine, 4'-nitro-

There total 5 articles about 3-Biphenylamine, 4'-nitro- 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: 99.0%

3-Aminophenylboronic acid (30418-59-8,280563-63-5) + para-nitrophenyl bromide (586-78-7) → 4'-nitro-[1,1'-biphenyl]-3-amine (53059-29-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at 80 ℃; for 88h;

DOI:10.1002/anie.202011858

Reference yield: 78.0%

4-nitrophenylboronic acid (24067-17-2) + 3-Iodoaniline (626-01-7) → 4'-nitro-[1,1'-biphenyl]-3-amine (53059-29-3)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydroxide; In tetrahydrofuran; for 12h; Reflux;

DOI:10.1021/jm3003679

Reference yield: 26.0%

C15H15NO2 → 4'-nitro-[1,1'-biphenyl]-3-amine (53059-29-3)

Guidance literature:

With sodium azide; oxygen; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 40 ℃; for 4h; Sealed tube;

DOI:10.1038/s41557-018-0156-y

upstream raw materials:

4-nitrophenylboronic acid

3-Iodoaniline

3-Aminophenylboronic acid

para-nitrophenyl bromide