N,N'-Bis((3-chlorophenyl)phenylmethyl)urea

Base Information

• Chemical Name: N,N'-Bis((3-chlorophenyl)phenylmethyl)urea
• CAS No.: 160807-84-1
• Molecular Formula: C27H22 Cl2 N2 O
• Molecular Weight: 461.38
• DSSTox Substance ID: DTXSID90936405
• ChEMBL ID: CHEMBL4965488
• Mol file: 160807-84-1.mol

Synonyms:160807-84-1;N,N'-Bis((3-chlorophenyl)phenylmethyl)urea;1,3-bis[(3-chlorophenyl)-phenylmethyl]urea;Urea, N,N'-bis((3-chlorophenyl)phenylmethyl)-;1,3-BIS[(3-CHLOROPHENYL)-PHENYL-METHYL]UREA;N,N'-di[(3-chlorophenyl)phenylmethyl]urea;Oprea1_637631;CHEMBL4965488;DTXSID90936405;STK531012;AKOS005463351;LS-159039;1,3-bis[(3-chlorophenyl)(phenyl)methyl]urea;N,N'-Bis[(3-chlorophenyl)(phenyl)methyl]carbamimidic acid

Chemical Property of N,N'-Bis((3-chlorophenyl)phenylmethyl)urea

Chemical Property:

• Vapor Pressure: 2.43E-17mmHg at 25°C
• Boiling Point: 660.9°Cat760mmHg
• PKA: 12.21±0.46(Predicted)
• Flash Point: 353.5°C
• PSA: 44.62000
• Density: 1.261g/cm³
• LogP: 7.76690
• XLogP3: 7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 460.1109187
• Heavy Atom Count: 32
• Complexity: 528

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)NC(=O)NC(C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Technology Process of N,N'-Bis((3-chlorophenyl)phenylmethyl)urea

There total 1 articles about N,N'-Bis((3-chlorophenyl)phenylmethyl)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: 95.0%

((3‐chlorophenyl)(phenyl)methyl)urea (117211-21-9) → N,N'-di[(3-chlorophenyl)phenylmethyl]urea (160807-84-1)

Guidance literature:

Heating;

DOI:10.1007/BF00810976

Reference yield: 84.0%

urea (57-13-6) + N,N'-di[(3-chlorophenyl)phenylmethyl]urea (160807-84-1) → ((3‐chlorophenyl)(phenyl)methyl)urea (117211-21-9)

Guidance literature:

With sulfuric acid; In benzene; at 75 ℃; for 3h;

Reference yield: 80.0%

N,N'-di[(3-chlorophenyl)phenylmethyl]urea (160807-84-1) + trifluoroacetic anhydride (407-25-0) → 1-[(3-Chloro-phenyl)-phenyl-methyl]-3-(2,2,2-trifluoro-acetyl)-urea

Guidance literature:

In benzene; for 0.5h; Ambient temperature;

upstream raw materials:

((3‐chlorophenyl)(phenyl)methyl)urea

Downstream raw materials:

N-[(3-Chloro-phenyl)-phenyl-methyl]-acetamide

((3‐chlorophenyl)(phenyl)methyl)urea

Refernces