Urea, 1,3-bis(2-chlorocyclohexyl)-

Base Information

• Chemical Name: Urea, 1,3-bis(2-chlorocyclohexyl)-
• CAS No.: 13908-80-0
• Molecular Formula: C₁₃H₂₂Cl₂N₂O
• Molecular Weight: 293.236
• NSC Number: 87422,87420
• DSSTox Substance ID: DTXSID60930319
• Mol file: 13908-80-0.mol

Synonyms:13908-80-0;NSC87422;13908-82-2;DTXSID60930319;N,n'-bis-(2-chlorocyclohexyl)urea;NSC87420;NSC-87420;NSC-87422;Urea, 1,3-bis(2-chlorocyclohexyl)-;N,N'-Bis(2-chlorocyclohexyl)carbamimidic acid

Chemical Property of Urea, 1,3-bis(2-chlorocyclohexyl)-

Chemical Property:

• Vapor Pressure: 6.45E-10mmHg at 25°C
• Boiling Point: 494.4°Cat760mmHg
• Flash Point: 252.8°C
• Density: 1.2g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 292.1109187
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)NC(=O)NC2CCCCC2Cl)Cl

Technology Process of Urea, 1,3-bis(2-chlorocyclohexyl)-

There total 3 articles about Urea, 1,3-bis(2-chlorocyclohexyl)- 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:

trans-2-chloro-cyclohexylamine (931-12-4,3123-68-0,3123-69-1,55005-83-9) → 1,3-Bis(trans-2-chlorocyclohexyl)urea (13908-80-0,13908-82-2)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: NaNO₂, HCO₂H

3: Et₃N / H₂O; acetone / Ambient temperature

With formic acid; triethylamine; sodium nitrite; In diethyl ether; water; acetone;

DOI:10.1021/jm00324a026

Reference yield:

1-((1S,2S)-2-Chloro-cyclohexyl)-3-methyl-urea → 1,3-Bis(trans-2-chlorocyclohexyl)urea (13908-80-0,13908-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂, HCO₂H

2: Et₃N / H₂O; acetone / Ambient temperature

With formic acid; triethylamine; sodium nitrite; In water; acetone;

DOI:10.1021/jm00324a026

Reference yield:

trans-2-chloro-cyclohexylamine (931-12-4,3123-68-0,3123-69-1,55005-83-9) + C8H14ClN3O2 → 1,3-Bis(trans-2-chlorocyclohexyl)urea (13908-80-0,13908-82-2)

Guidance literature:

With triethylamine; In water; acetone; Ambient temperature;

DOI:10.1021/jm00324a026

upstream raw materials:

trans-2-chloro-cyclohexylamine