N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea

Base Information

• Chemical Name: N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea
• CAS No.: 90346-91-1
• Molecular Formula: C₉H₁₀ClN₃O₂
• Molecular Weight: 227.65
• NSC Number: 75938
• DSSTox Substance ID: DTXSID60291492
• Wikidata: Q82029462
• Mol file: 90346-91-1.mol

Synonyms:90346-91-1;NSC75938;N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea;DTXSID60291492;NSC-75938

Chemical Property of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.32g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.0461543
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=O)NCC1=CC=C(C=C1)Cl)N=O

Technology Process of N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea

There total 2 articles about N'-[(4-Chlorophenyl)methyl]-N-methyl-N-nitrosourea 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:

4-chlorobenzylamine (104-86-9) → N-Nitroso-N-methyl-N'-(4-chlor-benzyl)-harnstoff (90346-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: CHCl₃

2: aq. NaNO₂, HCO₂H

With formic acid; sodium nitrite; In chloroform;

DOI:10.1021/jm00342a010

Reference yield:

1-(4-chlorobenzyl)-3-methylurea (13278-62-1) → N-Nitroso-N-methyl-N'-(4-chlor-benzyl)-harnstoff (90346-91-1)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00342a010

Reference yield:

N-Nitroso-N-methyl-N'-(4-chlor-benzyl)-harnstoff (90346-91-1) + 4-chlorobenzylamine (104-86-9) → N,N'-bis(4-chlorobenzyl)urea (92550-15-7)

Guidance literature:

In water;

DOI:10.1021/jm00342a010

upstream raw materials:

1-(4-chlorobenzyl)-3-methylurea

4-chlorobenzylamine

Downstream raw materials:

N,N'-bis(4-chlorobenzyl)urea