4-(4-Butylphenyl)aniline

Base Information

• Chemical Name: 4-(4-Butylphenyl)aniline
• CAS No.: 60040-13-3
• Molecular Formula: C₁₆H₁₉N
• Molecular Weight: 225.33
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID40568513
• Nikkaji Number: J1.704.551B
• Wikidata: Q82454787
• Mol file: 60040-13-3.mol

Synonyms:60040-13-3;4NBUTYL4AMINOBIPHENYL;4-(4-Butylphenyl)aniline;[1,1'-Biphenyl]-4-amine, 4'-butyl-;4'-Butyl-biphenyl-4-ylamine;SCHEMBL15198798;DTXSID40568513;4'-Butyl[1,1'-biphenyl]-4-amine;4-(4-butylphenyl)aniline, AldrichCPR;AKOS005820817;4'-BUTYL-[1,1'-BIPHENYL]-4-AMINE

Chemical Property of 4-(4-Butylphenyl)aniline

Chemical Property:

• PSA: 26.02000
• LogP: 4.85960
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.151749610
• Heavy Atom Count: 17
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)N

Technology Process of 4-(4-Butylphenyl)aniline

There total 6 articles about 4-(4-Butylphenyl)aniline 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:

4-chloro-aniline (106-47-8) + 2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (625458-85-7) → 4-Amino-4'-butoxybiphenyl (60040-13-3)

Guidance literature:

With potassium phosphate; water; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In 1,4-dioxane; at 110 ℃; for 15h;

DOI:10.1002/anie.200701551

Reference yield:

4-butylphenylboronic acid (145240-28-4) + 4-bromo-aniline (106-40-1) → 4-Amino-4'-butoxybiphenyl (60040-13-3)

Guidance literature:

With palladium 10% on activated carbon; tetrabutyl-ammonium chloride; sodium carbonate; In water; N,N-dimethyl-formamide; at 60 - 120 ℃; Microwave irradiation;

DOI:10.1016/j.bmcl.2009.02.073

Reference yield:

4-butyl-4‘-nitrobiphenyl (279242-12-5) → 4-Amino-4'-butoxybiphenyl (60040-13-3)

Guidance literature:

With tin(ll) chloride; In ethanol; ethyl acetate; Heating;

DOI:10.1016/S1383-5718(01)00345-X

upstream raw materials:

4-butyl-4‘-nitrobiphenyl

4-chloro-aniline

2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

p-bromobutylbenzene