4-bromo-N-cyclohexylaniline

Base Information

• Chemical Name: 4-bromo-N-cyclohexylaniline
• CAS No.: 113388-04-8
• Molecular Formula: C12H16BrN
• Molecular Weight: 254.17
• DSSTox Substance ID: DTXSID00561489
• Nikkaji Number: J2.565.596F
• Wikidata: Q82445325
• Mol file: 113388-04-8.mol

Synonyms:4-bromo-N-cyclohexylaniline;113388-04-8;SCHEMBL13580921;DTXSID00561489;FQGLYWZKVCFREG-UHFFFAOYSA-N;AKOS000240554

Chemical Property of 4-bromo-N-cyclohexylaniline

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 253.04661
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC2=CC=C(C=C2)Br

Technology Process of 4-bromo-N-cyclohexylaniline

There total 8 articles about 4-bromo-N-cyclohexylaniline 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: 93.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-bromo-aniline (106-40-1) → 4-bromo-N-cyclohexylaniline (113388-04-8)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In 2-methyltetrahydrofuran; at 18 ℃; for 16h;

DOI:10.1039/c5md00081e

Reference yield: 86.0%

1.4-dibromobenzene (106-37-6) + cyclohexylamine (108-91-8,157973-60-9) → 4-bromo-N-cyclohexylaniline (113388-04-8)

Guidance literature:

With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In toluene; at 80 ℃; for 3h;

DOI:10.1016/j.tet.2008.01.070

Reference yield: 69.0%

4-bromo-aniline (106-40-1) + Cyclohexanecarboxylic acid (98-89-5) → 4-bromo-N-cyclohexylaniline (113388-04-8)

Guidance literature:

With 9-(2-chlorophenyl)acridine; di-tert-butyl peroxide; copper(II) hexafluoroacetylacetonate; In ethyl acetate; at 35 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201916710

upstream raw materials:

N-phenyl-2-cyclohexylamine

1.4-dibromobenzene

cyclohexylamine

4-bromo-aniline