4-Nitro-[1,1'-biphenyl]-3-amine

Base Information

• Chemical Name: 4-Nitro-[1,1'-biphenyl]-3-amine
• CAS No.: 76129-28-7
• Molecular Formula: C12H10N2O2
• Molecular Weight: 214.224
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID80503802
• Nikkaji Number: J36.331F
• Wikidata: Q82357852
• Mol file: 76129-28-7.mol

Synonyms:4-nitro-[1,1'-biphenyl]-3-amine;76129-28-7;2-nitro-5-phenylaniline;4-Nitro-biphenyl-3-ylamine;4-nitrobiphenyl-3-amine;3-amino-4 -nitrobiphenyl;SCHEMBL720554;DTXSID80503802;FWFWQBIQPVAXEI-UHFFFAOYSA-N;4-nitro[1,1'-biphenyl]-3-amine;AKOS027421127;F95554;A1-11212

Chemical Property of 4-Nitro-[1,1'-biphenyl]-3-amine

Chemical Property:

• PSA: 71.84000
• LogP: 3.94840
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

4-Nitro-[1,1'-biphenyl]-3-amine 97% ^*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(=C(C=C2)[N+](=O)[O-])N

Technology Process of 4-Nitro-[1,1'-biphenyl]-3-amine

There total 7 articles about 4-Nitro-[1,1'-biphenyl]-3-amine 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%

5-chloro-2-nitroaniline (1635-61-6) + phenylboronic acid (98-80-6) → 4-nitrobiphenyl-3-ylamine (76129-28-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 3h;

DOI:10.1021/jm201305y

Reference yield: 51.0%

1-phenyl-4-nitrobenzene (92-93-3) → 4-nitrobiphenyl-3-ylamine (76129-28-7)

Guidance literature:

With potassium tert-butylate; N-methoxylamine hydrochloride; copper(l) chloride; In N,N-dimethyl-formamide; at 23 ℃; for 1.5h;

DOI:10.1021/ja075327f

Reference yield:

5-bromo-2-nitroaniline (5228-61-5) + phenylboronic acid (98-80-6) → 4-nitrobiphenyl-3-ylamine (76129-28-7)

Guidance literature:

With potassium carbonate; tris-(o-tolyl)phosphine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water;

DOI:10.1021/jm701079h

upstream raw materials:

5-chloro-2-nitroaniline

phenylboronic acid

5-bromo-2-nitroaniline

3-biphenyl amine

Downstream raw materials:

3-Iodo-4-nitro-1,1′-biphenyl

3,4-dihydroxy-5-methoxy-N-(4-nitrobiphenyl-3-yl)benzamide

3,4,5-trimethoxy-N-(4-nitrobiphenyl-3-yl)benzamide

C₁₃H₁₀N₂