3-Cyclohexyl-1,1-dipropylurea

Base Information

• Chemical Name: 3-Cyclohexyl-1,1-dipropylurea
• CAS No.: 57883-80-4
• Molecular Formula: C13H26N2O
• Molecular Weight: 226.362
• European Community (EC) Number: 666-976-0
• DSSTox Substance ID: DTXSID30408237
• Nikkaji Number: J2.165.394B
• Wikidata: Q82213626
• Mol file: 57883-80-4.mol

Synonyms:Urea, N'-cyclohexyl-N,N-dipropyl-;57883-80-4;3-cyclohexyl-1,1-dipropylurea;N'-cyclohexyl-N,N-dipropylurea;SCHEMBL7563697;DTXSID30408237;AKOS003853701

Chemical Property of 3-Cyclohexyl-1,1-dipropylurea

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 226.204513457
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN(CCC)C(=O)NC1CCCCC1

Technology Process of 3-Cyclohexyl-1,1-dipropylurea

There total 8 articles about 3-Cyclohexyl-1,1-dipropylurea 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) + cyclohexylamine (108-91-8,157973-60-9) + di-n-propylamine (142-84-7) → N-cyclohexyl-N',N'-di-n-propylurea (57883-80-4)

Guidance literature:

carbon dioxide; cyclohexylamine; In dimethyl sulfoxide; at 20 ℃;

di-n-propylamine; With triphenylphosphine; diethylazodicarboxylate; In dimethyl sulfoxide; at 20 ℃; for 3h; chemoselective reaction;

DOI:10.1007/s00706-007-0776-1

Reference yield: 48.7%

N-cyclohexyl-carbamate de succinimidyle (80672-61-3) + di-n-propylamine (142-84-7) → N-cyclohexyl-N',N'-di-n-propylurea (57883-80-4)

Guidance literature:

Ambient temperature;

DOI:10.1016/S0040-4039(00)85958-4

Reference yield: 44.0%

cyclohexylamine (108-91-8,157973-60-9) + di-n-propylamine (142-84-7) → N-cyclohexyl-N',N'-di-n-propylurea (57883-80-4)

Guidance literature:

With triethylamine; In acetonitrile; for 0.00277778h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.03.076

upstream raw materials:

carbon monoxide

cyclohexylamine

di-n-propylamine

Cyclohexyl isocyanate

Refernces

• 1、 Chaturvedi, Devdutt,Mishra, Nisha,Mishra, Virendra. "A high yielding, one-pot synthesis of substituted ureas from the corresponding amines using Mitsunobu's reagent". experimental part. p. 267 - 270. Retrieved 2009/05/26.
• 2、 Takeda, Kazuyoshi,Akagi, Yoshie,Saiki, Atsuko,Tsukahara, Toshiko,Ogura, Haruo. "Convenient Methods for Syntheses of Active Carbamates, Ureas and Nitrosoureas Using N,N'-disuccinimido Carbonate (DSC)". . p. 4569 - 4572. Retrieved 2007/10/02.