4-tert-Butylcyclohexylamine

Base Information

• Chemical Name: 4-tert-Butylcyclohexylamine
• CAS No.: 5400-88-4
• Molecular Formula: C10H21 N
• Molecular Weight: 155.283
• Hs Code.: 2921300090
• European Community (EC) Number: 226-444-7
• NSC Number: 10399
• DSSTox Substance ID: DTXSID00202320,DTXSID901267492
• Nikkaji Number: J217.962H,J3.087.037I
• ChEMBL ID: CHEMBL1097725
• Mol file: 5400-88-4.mol

Synonyms:4-t-Bu-cyclohexylamine;4-t-butylcyclohexylamine;4-tert-butylcyclohexylamine;4-tert-butylcyclohexylamine, cis;4-tert-butylcyclohexylamine, trans

Chemical Property of 4-tert-Butylcyclohexylamine

Chemical Property:

• Vapor Pressure: 0.369mmHg at 25°C
• Refractive Index: 1.4662
• Boiling Point: 198°Cat760mmHg
• PKA: 10.58±0.70(Predicted)
• Flash Point: 51.3°C
• PSA: 26.02000
• Density: 0.861g/cm³
• LogP: 3.25030
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.167399674
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(tert-Butyl)cyclohexanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(CC1)N

Technology Process of 4-tert-Butylcyclohexylamine

There total 5 articles about 4-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%

4-tercbutyl-cyclohexanone (98-53-3) → 4-tert-butylcyclohexylamine (5400-88-4)

Guidance literature:

With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine; In 2,2,2-trifluoroethanol; at 120 ℃; for 24h; chemoselective reaction;

DOI:10.1039/d0sc01084g

Reference yield: 68.0%

4-tert-butylcyclohexanone oxime (4701-98-8) → 4-tert-butylcyclohexylamine (5400-88-4)

Guidance literature:

With sodium; In ethanol; Heating;

DOI:10.1016/S0014-827X(99)00057-9

Reference yield:

para-tert-butylphenol (98-54-4) → 4-tert-butylcyclohexylamine (5400-88-4)

Guidance literature:

With methanol; 5% Rh/C; ammonia; hydrogen; isopropyl alcohol; In Hexadecane; at 140 ℃; for 6h; under 4500.45 Torr; Autoclave;

DOI:10.1002/cctc.201800486

upstream raw materials:

4-tert-butylcyclohexanecarboxylic acid

4-tert-butylcyclohexanone oxime

4-tercbutyl-cyclohexanone

para-tert-butylphenol

Downstream raw materials:

2,9-Bis-(4-tert-butyl-cyclohexyl)-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone

4-t-butyl-1-nitrocyclohexane

1-(4-tert-butyl-cyclohexyl)-3-(7-hydroxy-naphthalen-1-yl)-urea

3-(4-(tert-butyl)cyclohexyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one

Refernces

• 1、 Beller, Matthias,Chandrashekhar, Vishwas G.,Gawande, Manoj B.,Jagadeesh, Rajenahally V.,Kalevaru, Narayana V.,Kamer, Paul C. J.,Senthamarai, Thirusangumurugan,Zbo?il, Radek. "Ultra-small cobalt nanoparticles from molecularly-defined Co-salen complexes for catalytic synthesis of amines". . p. 2973 - 2981. Retrieved 2020/03/27.
• 2、 -. "2-aminobenzoxazole derivatives and combinatorial libraries thereof". . . Retrieved 2008/06/13.