N-tert-Butylcyclohexylamine

Base Information

• Chemical Name: N-tert-Butylcyclohexylamine
• CAS No.: 51609-06-4
• Molecular Formula: C10H21 N
• Molecular Weight: 155.283
• Hs Code.: 2921300090
• European Community (EC) Number: 257-320-0
• DSSTox Substance ID: DTXSID90199558
• Nikkaji Number: J294.865F
• Wikidata: Q23889676
• Mol file: 51609-06-4.mol

Synonyms:N-tert-Butylcyclohexylamine;51609-06-4;n-tert-butylcyclohexanamine;N-(tert-butyl)cyclohexanamine;EINECS 257-320-0;N-(1,1-Dimethylethyl)cyclohexanamine;t-butylcyclohexyl amine;n-t-butylcyclohexylamine;tert-butyl-cyclohexylamine;tert-butylcyclohexyl amine;tert.-butyl-cyclohexyl-amine;SCHEMBL272103;N-tertbutyl-N-cyclohexyl amine;DTXSID90199558;MFCD00075598;AKOS015906617;AS-40149;CS-0204401;FT-0767184;Q23889676

Chemical Property of N-tert-Butylcyclohexylamine

Chemical Property:

• Vapor Pressure: 1.29mmHg at 25°C
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 172-174 °C(lit.)
• PKA: 11.03±0.20(Predicted)
• Flash Point: 126 °F
• PSA: 12.03000
• Density: 0.834 g/mL at 25 °C(lit.)
• LogP: 3.09810
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.167399674
• Heavy Atom Count: 11
• Complexity: 107

Purity/Quality:

98%Min ^*data from raw suppliers

N-tert-Butylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC1CCCCC1

Technology Process of N-tert-Butylcyclohexylamine

There total 12 articles about N-tert-Butylcyclohexylamine 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%

N-tert-Butyl-N-cyclohexyl-hydroxylamine (141339-36-8) → N-(tert-butyl)cyclohexanamine (51609-06-4)

Guidance literature:

With carbon disulfide; In acetonitrile; for 0.0833333h; Ambient temperature;

DOI:10.1016/S0040-4039(00)91706-4

Reference yield:

nitrobenzene (98-95-3,26969-40-4) + tert-butyl alcohol (75-65-0) → N-(tert-butyl)cyclohexanamine (51609-06-4) + cyclohexylamine (108-91-8,157973-60-9)

Guidance literature:

With hydrogen; In water; at 150 ℃; for 10h; under 22502.3 Torr; chemoselective reaction; Molecular sieve; Autoclave;

DOI:10.1016/j.apcata.2020.117536

Reference yield:

tert-butylamine (75-64-9) + cyclohexanol (108-93-0) → N-(tert-butyl)cyclohexanamine (51609-06-4)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; bis[2-(diphenylphosphino)phenyl] ether; In 5,5-dimethyl-1,3-cyclohexadiene; at 20 - 150 ℃; for 24.1667h; Inert atmosphere;

upstream raw materials:

t-butylformamide

cyclohexanone

3-(tert.-Butyl-imino)-cyclohexen, N-Cyclohex-2-enyliden-tert.-butylamin

N-Dimethylphenyl-N'-t-butyl,N'-cyclohexylharnstoff

Downstream raw materials:

Cyclohexyl-tert-butyl-ammonium-diisobutylphosphat

N-Dimethylphenyl-N'-t-butyl,N'-cyclohexylharnstoff

cyclohexyl-t-butylcyanamide

N-tert-Butyl-N-cyclohexyl-propionamide