1-Butylcyclohexanamine

Base Information

• Chemical Name: 1-Butylcyclohexanamine
• CAS No.: 2626-61-1
• Molecular Formula: C₁₀H₂₁N
• Molecular Weight: 155.283
• ChEMBL ID: CHEMBL1190139
• DSSTox Substance ID: DTXSID801318939
• Nikkaji Number: J294.341G
• Mol file: 2626-61-1.mol

Synonyms:1-Butylcyclohexanamine;2626-61-1;1-butylcyclohexan-1-amine;SCHEMBL337520;CHEMBL1190139;DTXSID801318939;AKOS011915013;EN300-1255671

Chemical Property of 1-Butylcyclohexanamine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 155.167399674
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1(CCCCC1)N

Technology Process of 1-Butylcyclohexanamine

There total 6 articles about 1-Butylcyclohexanamine 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: 42.0%

1-phenylcyclohexylamine (2201-24-3) → 1-butylcyclohexylamine (2626-61-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With n-butyllithium; In hexane; for 72h; Heating;

DOI:10.1021/jo00169a048

Reference yield: 30.0%

n-butyllithium (109-72-8,29786-93-4) + cyclohexylamine (108-91-8,157973-60-9) → 1-butylcyclohexylamine (2626-61-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

In hexane; 1.) ice bath, 2.) reflux, 4 h;

DOI:10.1021/jo00171a038

Reference yield:

1-azido-1-butylcyclohexane → 1-butylcyclohexylamine (2626-61-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Yield given;

DOI:10.1021/jm00167a027

upstream raw materials:

1-butyl-cyclohexanecarboxylic acid amide

1-phenylcyclohexylamine

n-butyllithium

cyclohexylamine

Downstream raw materials:

1-butyl-1-nitrocyclohexane

C₁₆H₂₄N₂O₅S