2-Benzylcyclohexylamine

Base Information

• Chemical Name: 2-Benzylcyclohexylamine
• CAS No.: 72436-51-2
• Molecular Formula: C13H19 N
• Molecular Weight: 189.301
• Hs Code.: 2921499090
• European Community (EC) Number: 276-663-7
• DSSTox Substance ID: DTXSID80993249
• Nikkaji Number: J296.312D
• ChEMBL ID: CHEMBL40735
• Mol file: 72436-51-2.mol

Synonyms:2-benzylcyclohexan-1-amine;2-Benzylcyclohexylamine;72436-51-2;2-Benzyl-cyclohexylamine;2-Benzylcyclohexanamine;CHEMBL40735;EINECS 276-663-7;1-amino-2-benzylcyclohexane;2-(Phenylmethyl)cyclohexanamine;SCHEMBL2283867;DTXSID80993249;YOPIHDSNQOMRGC-UHFFFAOYSA-N;BDBM50022807;AKOS000301951;AKOS016908717;EN300-68503;Z813020514

Chemical Property of 2-Benzylcyclohexylamine

Chemical Property:

• Vapor Pressure: 0.00215mmHg at 25°C
• Boiling Point: 289.9°C at 760 mmHg
• Flash Point: 131.1°C
• PSA: 26.02000
• Density: 0.984g/cm³
• LogP: 3.44690
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2-Benzylcyclohexanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)CC2=CC=CC=C2)N

Technology Process of 2-Benzylcyclohexylamine

There total 15 articles about 2-Benzylcyclohexylamine 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: 99.0%

trans-1-azido-2-benzylcyclohexane → trans-2-benzylcyclohexan-1-amine (72436-51-2,79315-70-1,79315-72-3,116781-75-0)

Guidance literature:

With hydrogen; 10percent Pd/C; In methanol; at 20 ℃;

DOI:10.1021/jm9905256

Reference yield: 33.0%

iodobenzene (591-50-4) + 2-METHYLCYCLOHEXYLAMINE (7003-32-9) → trans-2-benzylcyclohexan-1-amine (72436-51-2,79315-70-1,79315-72-3,116781-75-0)

Guidance literature:

With palladium(II) trimethylacetate; 1,1,1,3',3',3'-hexafluoro-propanol; 1-(2,2-dimethoxyethoxy)-4-(trifluoromethyl)benzene; water; silver trifluoroacetate; acetic acid; at 110 ℃; for 18h; Microwave irradiation; Sealed tube;

DOI:10.1002/chem.201804515

Reference yield:

2-[hydroxy(phenyl)methyl]cyclohexylamine (75947-57-8) → 2-(benzylidenyl)cyclohexylamine (72436-51-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol; dichloromethane; water;

upstream raw materials:

2-benzylcyclohexan-1-one oxime

acetic acid

ethanol

trans-2-benzylcyclohexanol

Downstream raw materials:

(+/-)-cis-2-acetylamino-1-benzyl-cyclohexane