trans-4-(4-Propylcyclohexyl)benzenamine

Base Information

• Chemical Name: trans-4-(4-Propylcyclohexyl)benzenamine
• CAS No.: 71545-39-6
• Molecular Formula: C₁₅H₂₃N
• Molecular Weight: 217.354
• DSSTox Substance ID: DTXSID401279101
• Mol file: 71545-39-6.mol

Synonyms:trans-4-(4-Propylcyclohexyl)benzenamine;SCHEMBL7753793;SCHEMBL10778385;DTXSID401279101;4-[(1s,4r)-4-propylcyclohexyl]aniline;71545-39-6;EN300-10846964

Chemical Property of trans-4-(4-Propylcyclohexyl)benzenamine

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 217.183049738
• Heavy Atom Count: 16
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)N

Technology Process of trans-4-(4-Propylcyclohexyl)benzenamine

There total 1 articles about trans-4-(4-Propylcyclohexyl)benzenamine 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:

N-[4-(4-Propyl-cyclohexyl)-phenyl]-acetamide (87581-96-2) → 4-(4-Propyl-cyclohexyl)-phenylamine (71545-39-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1080/00268948408072440

Reference yield:

thiophosgene (463-71-8) + 4-(4-Propyl-cyclohexyl)-phenylamine (71545-39-6) → 4-(trans-4'-n-propylcyclohexyl)isothiocyanatobenzene (92412-67-4)

Guidance literature:

With potassium carbonate; In chloroform; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2006.09.067

Reference yield:

4-(4-Propyl-cyclohexyl)-phenylamine (71545-39-6) → N-(2,3-dihydroxy-propyl)-3-hydroxy-5-[4-(4-propyl-cyclohexyl)-phenylamino]-isothiazole-4-carboxamidine

Guidance literature:

Multi-step reaction with 4 steps

1: aq. K₂CO₃ / CHCl₃ / 2 h / 20 °C

2: KOH / dimethylformamide / 16 h / 20 °C

3: Br₂ / ethyl acetate / 20 °C

4: ethanol / 16 h / 90 °C

With potassium hydroxide; bromine; potassium carbonate; In ethanol; chloroform; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.09.067

upstream raw materials:

N-[4-(4-Propyl-cyclohexyl)-phenyl]-acetamide

Downstream raw materials:

4-(trans-4'-n-propylcyclohexyl)isothiocyanatobenzene