1-(4-Chlorophenyl)-3-cyclopropylurea

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-cyclopropylurea
• CAS No.: 64393-08-4
• Molecular Formula: C10H11 Cl N2 O
• Molecular Weight: 210.6601
• NSC Number: 194902
• DSSTox Substance ID: DTXSID90307752
• Wikidata: Q82055284
• Mol file: 64393-08-4.mol

Synonyms:1-(4-chlorophenyl)-3-cyclopropylurea;N-(4-chlorophenyl)-N'-cyclopropylurea;64393-08-4;NSC194902;CBMicro_017740;Cambridge id 6106250;DTXSID90307752;CCG-13986;STK408720;AKOS003272804;NSC-194902;BIM-0017754.P001;SR-01000252104;SR-01000252104-1

Chemical Property of 1-(4-Chlorophenyl)-3-cyclopropylurea

Chemical Property:

• Vapor Pressure: 0.000568mmHg at 25°C
• Boiling Point: 311.3°Cat760mmHg
• Flash Point: 142.1°C
• Density: 1.3g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.0559907
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC(=O)NC2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-cyclopropylurea

There total 1 articles about 1-(4-Chlorophenyl)-3-cyclopropylurea 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:

p-chlorphenylisocyanate (104-12-1) + Cyclopropylamine (765-30-0) → 1-Cyclopropyl-3-(4-chlor-phenyl)-harnstoff (64393-08-4)

Guidance literature:

Reference yield: 75.0%

oxalyl dichloride (79-37-8) + 1-Cyclopropyl-3-(4-chlor-phenyl)-harnstoff (64393-08-4) → 1-(4-chlorophenyl)-3-cyclopropyl-2,4,5-imidazolidinetrione (1445905-07-6)

Guidance literature:

oxalyl dichloride; 1-Cyclopropyl-3-(4-chlor-phenyl)-harnstoff; In dichloromethane; at 20 ℃; for 0.5h;

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.2174/1386207311301010010

Reference yield:

1-Cyclopropyl-3-(4-chlor-phenyl)-harnstoff (64393-08-4) → C19H13ClN2O4

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / Reflux

2: sodium periodate / water; ethanol / 20 °C

With sodium periodate; In ethanol; water; benzene;

DOI:10.1016/j.bmcl.2016.04.040

upstream raw materials:

p-chlorphenylisocyanate

Cyclopropylamine

Downstream raw materials:

1-(4-chlorophenyl)-3-cyclopropyl-2,4,5-imidazolidinetrione

Refernces