N-Cyclohexyl-N'-(3,4,5-trimethoxyphenyl)urea

Base Information

• Chemical Name: N-Cyclohexyl-N'-(3,4,5-trimethoxyphenyl)urea
• CAS No.: 1041-18-5
• Molecular Formula: C₁₆H₂₄N₂O₄
• Molecular Weight: 308.378
• DSSTox Substance ID: DTXSID00908794
• Wikidata: Q82878266
• Mol file: 1041-18-5.mol

Synonyms:N-Cyclohexyl-N'-(3,4,5-trimethoxyphenyl)urea;Urea, N-cyclohexyl-N'-(3,4,5-trimethoxyphenyl)-;1041-18-5;1-cyclohexyl-3-(3,4,5-trimethoxyphenyl)urea;DTXSID00908794;STK415145;AKOS003336091;N'-Cyclohexyl-N-(3,4,5-trimethoxyphenyl)carbamimidic acid

Chemical Property of N-Cyclohexyl-N'-(3,4,5-trimethoxyphenyl)urea

Chemical Property:

• Vapor Pressure: 3.93E-07mmHg at 25°C
• Boiling Point: 416.1°C at 760 mmHg
• Flash Point: 205.4°C
• PSA: 72.31000
• Density: 1.16g/cm³
• LogP: 3.44400
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 308.17360725
• Heavy Atom Count: 22
• Complexity: 333

Purity/Quality:

1-CYCLOHEXYL-3-(3,4,5-TRIMETHOXYPHENYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)NC2CCCCC2

Technology Process of N-Cyclohexyl-N'-(3,4,5-trimethoxyphenyl)urea

There total 5 articles about N-Cyclohexyl-N'-(3,4,5-trimethoxyphenyl)urea 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:

Cyclohexyl isocyanide (931-53-3) → 1-cyclohexyl-3-(3,4,5-trimethoxyphenyl)urea (1041-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dihydrogen peroxide; water; N-iodo-succinimide / 1,4-dioxane / 4 h / 90 °C

2: 1,4-dioxane / 16 h / 90 °C

With N-iodo-succinimide; water; dihydrogen peroxide; In 1,4-dioxane;

DOI:10.1039/c7gc01449j

Reference yield:

(E)-1-phenylethan-1-one O-cyclohexylcarbamoyl oxime + 3,4,5-Trimethoxyaniline (24313-88-0) → 1-cyclohexyl-3-(3,4,5-trimethoxyphenyl)urea (1041-18-5)

Guidance literature:

In 1,4-dioxane; at 90 ℃; for 16h;

DOI:10.1039/c7gc01449j

Reference yield:

3,4,5-trimethoxybenzoyl azide (42543-45-3) → 1-cyclohexyl-3-(3,4,5-trimethoxyphenyl)urea (1041-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / Heating

2: benzene

In toluene; benzene;

DOI:10.1007/BF00908806

upstream raw materials:

3,4,5-trimethoxyphenylisocyanate

cyclohexylamine

3,4,5-trimethoxybenzoyl azide

Cyclohexyl isocyanide