1-Butyl-3-cyclohexylurea

Base Information

• Chemical Name: 1-Butyl-3-cyclohexylurea
• CAS No.: 2158-01-2
• Molecular Formula: C11H22N2O
• Molecular Weight: 198.308
• European Community (EC) Number: 666-975-5
• Mol file: 2158-01-2.mol

Synonyms:1-butyl-3-cyclohexylurea;SCHEMBL5020902;1-(1-butyl)-3-cyclohexylurea;PLFCUQQRXRYJPJ-UHFFFAOYSA-N;AKOS003512558

Chemical Property of 1-Butyl-3-cyclohexylurea

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 198.173213330
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)NC1CCCCC1

Technology Process of 1-Butyl-3-cyclohexylurea

There total 10 articles about 1-Butyl-3-cyclohexylurea 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: 94.0%

N-hydroxycyclohexanecarboxamide (13810-02-1) + N-butylamine (109-73-9,85404-21-3) → N-butyl-N'-cyclohexylurea (2158-01-2)

Guidance literature:

With triethylamine; In acetonitrile; at 90 ℃; for 24h; Sealed tube;

DOI:10.1002/adsc.201400170

Reference yield: 92.0%

2,2,2-trichloroethyl N-cyclohexylcarbamate (874394-02-2) + N-butylamine (109-73-9,85404-21-3) → N-butyl-N'-cyclohexylurea (2158-01-2)

Guidance literature:

With lanthanum(lll) triflate; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0040-1707991

Reference yield: 89.0%

prop-2'-en-1'-yl cyclohexylcarbamate (25070-80-8) + N-butylamine (109-73-9,85404-21-3) → N-butyl-N'-cyclohexylurea (2158-01-2)

Guidance literature:

With lanthanum(lll) triflate; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0040-1707991

upstream raw materials:

N-Methyl-N-p-tosyl-N'-n-butylharnstoff

cyclohexylamine

S-methyl N-butylthiocarbamate

n-butyl isocyanide

Downstream raw materials:

1-phenyl-1-cyclohexane

1-(1-butyl)-3-cyclohexylbarbituric acid

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