(3-Chlorophenyl)(1-methyl-2-pyrrolidinylidene)urea

Base Information

• Chemical Name: (3-Chlorophenyl)(1-methyl-2-pyrrolidinylidene)urea
• CAS No.: 50528-92-2
• Molecular Formula: C12H14ClN3O
• Molecular Weight: 251.7121
• ChEMBL ID: CHEMBL380626

Synonyms:BRN 0407644;MCN-3009;CHEMBL380626;(3-Chlorophenyl)(1-methyl-2-pyrrolidinylidene)urea;50528-92-2;1-(m-Chlorophenyl)-3-(1-methyl-2-pyrrolidinylidene)urea;N-(3-Chlorophenyl)-N'-(1-methyl-2-pyrrolidinylidene)urea;Urea, 1-(m-chlorophenyl)-3-(1-methyl-2-pyrrolidinylidene)-;C12H14ClN3O;C12-H14-Cl-N3-O;Urea, (3-chlorophenyl)(1-methyl-2-pyrrolidinylidene)-;BDBM50179641;LS-159582;1-(3-chlorophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea

Chemical Property of (3-Chlorophenyl)(1-methyl-2-pyrrolidinylidene)urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 44.70000
• Density: 1.29g/cm³
• LogP: 3.00690
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 251.0825398
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC1=NC(=O)NC2=CC(=CC=C2)Cl
• Isomeric SMILES: CN\1CCC/C1=N\C(=O)NC2=CC(=CC=C2)Cl

Technology Process of (3-Chlorophenyl)(1-methyl-2-pyrrolidinylidene)urea

There total 2 articles about (3-Chlorophenyl)(1-methyl-2-pyrrolidinylidene)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:

N-methyl-2-iminopyrrolidine (7544-76-5) + m-chlorophenyl isocyanate (2909-38-8) → 1-(3-chloro-phenyl)-3-(1-methyl-pyrrolidin-2-ylidene)-urea (50528-92-2)

Guidance literature:

With sodium hydroxide; In benzene;

Reference yield:

→ 1-(3-chloro-phenyl)-3-(1-methyl-pyrrolidin-2-ylidene)-urea (50528-92-2)

Guidance literature:

Iminoverb. 4, 3-Chlorphenylisocyanat;

DOI:10.1021/jm00208a008

upstream raw materials:

N-methyl-2-iminopyrrolidine

m-chlorophenyl isocyanate

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