4''-Nitro-[1,1':4',1''-terphenyl]-4-amine

Base Information

• Chemical Name: 4''-Nitro-[1,1':4',1''-terphenyl]-4-amine
• CAS No.: 38190-45-3
• Molecular Formula: C18H14N2O2
• Molecular Weight: 290.31600
• DSSTox Substance ID: DTXSID80592195
• Nikkaji Number: J642.036B
• Wikidata: Q82486169
• Mol file: 38190-45-3.mol

Synonyms:4''-Nitro-[1,1':4',1''-terphenyl]-4-amine;38190-45-3;4-[4-(4-NITROPHENYL)PHENYL]ANILINE;(4''-nitro-1,1':4',1''-terphenyl-4-yl)amine;4-Nitro-[1,1';4',1'']terphenyl-4''-ylamine;SCHEMBL9650808;DTXSID80592195;AKOS005068203;SB82396;A873903;3~4~-Nitro[1~1~,2~1~:2~4~,3~1~-terphenyl]-1~4~-amine

Chemical Property of 4''-Nitro-[1,1':4',1''-terphenyl]-4-amine

Chemical Property:

• Boiling Point: 509.5oC at 760 mmHg
• Flash Point: 261.9oC
• PSA: 71.84000
• Density: 1.24g/cm3
• LogP: 5.61540
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.105527694
• Heavy Atom Count: 22
• Complexity: 358

Purity/Quality:

97% ^*data from raw suppliers

4''-Nitro-[1,1':4',1''-terphenyl]-4-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 4''-Nitro-[1,1':4',1''-terphenyl]-4-amine

There total 4 articles about 4''-Nitro-[1,1':4',1''-terphenyl]-4-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: 86.0%

(4-aminophenyl)boronic acid hydrochloride (80460-73-7) + 4'-bromo-4-nitrobiphenyl (6242-98-4) → 4-nitro-4''-amino-p-terphenyl (38190-45-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at 80 ℃; for 41h;

DOI:10.1002/anie.202011858

Reference yield:

p-nitrobenzene iodide (636-98-6) + 4-Bromophenylboronic acid (5467-74-3) → 4-nitro-4''-amino-p-terphenyl (38190-45-3)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran; water / 64 h / 80 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / tetrahydrofuran; water / 41 h / 80 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water;

DOI:10.1002/anie.202011858

Reference yield:

p,p-dinitro-p-terphenyl (3282-11-9) → 4-nitro-4''-amino-p-terphenyl (38190-45-3)

Guidance literature:

With pyridine; sodium sulfide; sulfur;

upstream raw materials:

p,p-dinitro-p-terphenyl

(4-aminophenyl)boronic acid hydrochloride

4'-bromo-4-nitrobiphenyl

p-nitrobenzene iodide

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