4-Phenylcyclohexylamine

Base Information

• Chemical Name: 4-Phenylcyclohexylamine
• CAS No.: 19992-45-1
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2921499090
• European Community (EC) Number: 243-453-1
• DSSTox Substance ID: DTXSID80173807
• Nikkaji Number: J77.891E,J81.126B,J82.917J
• Mol file: 19992-45-1.mol

Synonyms:cis-4-phenylcyclohexylamine;trans-4-phenylcyclohexylamine;trans-4-phenylcyclohexylamine hydrochloride

Chemical Property of 4-Phenylcyclohexylamine

Chemical Property:

• Vapor Pressure: 0.00421mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 278.6 °C at 760 mmHg
• PKA: 10.49±0.70(Predicted)
• Flash Point: 125.9 °C
• PSA: 26.02000
• Density: 0.983 g/cm³
• LogP: 3.37180
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

4-Phenyl-cyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C2=CC=CC=C2)N
• Uses: 4-Phenylcyclohexanamine is a useful reagent for the preparation of aromatic compounds for treating conditions associated with STING activity.

Technology Process of 4-Phenylcyclohexylamine

There total 7 articles about 4-Phenylcyclohexylamine 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: 92.0%

4-phenylcyclohexanone oxime (4500-20-3) → cis-4-phenylcyclohexylamine (19992-45-1)

Guidance literature:

With sodium hydrogensulfate monohydrate; molybdenum(V) chloride; sodium cyanoborohydride; In ethanol; for 0.7h; Reflux;

DOI:10.5012/bkcs.2011.32.9.3323

Reference yield: 84.0%

1-phenyl-4-cyclohexanone (4894-75-1) → cis-4-phenylcyclohexylamine (19992-45-1)

Guidance literature:

With ammonia; hydrogen; In water; at 130 ℃; for 24h; Autoclave;

DOI:10.1039/c9sc04963k

Reference yield: 83.0%

1-phenyl-4-cyclohexanone (4894-75-1) → C24H31N (1246674-69-0) + cis-4-phenylcyclohexylamine (19992-45-1)

Guidance literature:

With ammonium acetate; sodium cyanoborohydride; In ethanol; at 130 ℃; for 0.0333333h; Microwave irradiation;

DOI:10.1016/j.tetlet.2010.07.156

upstream raw materials:

aniline

4-phenyl-cyclohexanol

1-phenyl-4-cyclohexanone

benzylamine

Downstream raw materials:

N-(4-methoxyphenyl)-N'-(4-phenylcyclohexyl)-urea

tert-butyl (trans-4-phenylcyclohexyl)carbamate

Refernces

• 1、 Sadighnia, Leila,Zeynizadeh, Behzad,Karami, Shiva,Abdollahi, Mohammad. "Nano-Fe3O4@SiO2-SO3H: A magnetic, reusable solid-acid catalyst for solvent-free reduction of oximes to amines with the NaBH3CN/ZrCl4 system". . p. 535 - 542. Retrieved 2019/01/04.
• 2、 Sadighnia, Leila,Zeynizadeh, Behzad. "The efficient solvent-free reduction of oximes to amines with NaBH3CN catalyzed by ZrCl4/nano Fe3O4 system". . p. 873 - 878. Retrieved 2015/03/18.