1-(2-Chloroethyl)-3-mesitylurea

Base Information

• Chemical Name: 1-(2-Chloroethyl)-3-mesitylurea
• CAS No.: 33021-67-9
• Molecular Formula: C12H17ClN2O
• Molecular Weight: 240.733
• NSC Number: 102251
• UNII: XP3KS2SBW2
• DSSTox Substance ID: DTXSID30186669
• Nikkaji Number: J83.882I
• Wikidata: Q83058030
• ChEMBL ID: CHEMBL159252

Synonyms:1-(2-Chloroethyl)-3-mesitylurea;Urea, 1-(2-chloroethyl)-3-mesityl-;33021-67-9;XP3KS2SBW2;NSC-102251;NSC 102251;BRN 2119908;NSC102251;Urea, N-(2-chloroethyl)-N'-(2,4,6-trimethylphenyl)-;UNII-XP3KS2SBW2;NCIOpen2_006754;1-(2-chloroethyl)-3-(2,4,6-trimethylphenyl)urea;CHEMBL159252;SCHEMBL6697640;DTXSID30186669;N-(2-Chloroethyl)-N'-(2,4,6-trimethylphenyl)urea

Chemical Property of 1-(2-Chloroethyl)-3-mesitylurea

Chemical Property:

• Vapor Pressure: 0.00015mmHg at 25°C
• Boiling Point: 332°Cat760mmHg
• Flash Point: 154.6°C
• Density: 1.157g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.1029409
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)NC(=O)NCCCl)C

Technology Process of 1-(2-Chloroethyl)-3-mesitylurea

There total 1 articles about 1-(2-Chloroethyl)-3-mesitylurea 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: 97.0%

2-chloroethyl isothiocyanate (1943-83-5) + 2,4,6-trimethylaniline (88-05-1) → 1-(2-chloroethyl)-3-mesitylurea (33021-67-9)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 20h;

Reference yield: 99.0%

1-(2-chloroethyl)-3-mesitylurea (33021-67-9) → 1-mesitylimidazolidin-2-one

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere; Glovebox;

Reference yield:

1-(2-chloroethyl)-3-mesitylurea (33021-67-9) → N-(2-chloroethyl)-N-nitroso-N'-(2,4,6-trimethylphenyl)-urea (33022-06-9)

Guidance literature:

With sodium nitrite; In formic acid;

DOI:10.1021/jm00289a011

upstream raw materials:

2-chloroethyl isothiocyanate

2,4,6-trimethylaniline

Downstream raw materials:

N-(2-chloroethyl)-N-nitroso-N'-(2,4,6-trimethylphenyl)-urea

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