1-(3-Chloro-4-methylphenyl)-3-methylurea

Base Information

• Chemical Name: 1-(3-Chloro-4-methylphenyl)-3-methylurea
• CAS No.: 22175-22-0
• Molecular Formula: C9H11 Cl N2 O
• Molecular Weight: 198.64944
• Hs Code.: 2924299090
• European Community (EC) Number: 667-418-9
• NSC Number: 164350
• DSSTox Substance ID: DTXSID20176711
• Nikkaji Number: J590.536B
• Wikidata: Q83047006
• Mol file: 22175-22-0.mol

Synonyms:1-(3-chloro-4-methylphenyl)-3-methylurea;22175-22-0;N-(3-CHLORO-4-METHYLPHENYL)-N'-METHYLUREA;3-(3-chloro-4-methylphenyl)-1-methylurea;1-(3-Chloro-4-methylphenyl)-3-methyl-urea;NSC164350;chlorotoluron-monodemethyl;Maybridge1_005663;DivK1c_001951;SCHEMBL11755742;HMS557J09;DTXSID20176711;CHEBI:157701;GUMFWXBSFOHZDC-UHFFFAOYSA-N;CGA-16339;MFCD00089111;AKOS006242927;MS-1757;NSC 164350;NSC-164350;CDS1_000911;N'-(3-chloro-4-methylphenyl)-N-methylurea;FT-0703474;N'-(4-methyl-3-chlorophenyl)--N-methylurea;N-methyl-N'-(3-chloro-4-methylphenyl)-urea;Z56324726;1-(3-Chloro-4-methylphenyl)-3-methyl-urea 100 microg/mL in Acetonitrile

Chemical Property of 1-(3-Chloro-4-methylphenyl)-3-methylurea

Chemical Property:

• Vapor Pressure: 0.00386mmHg at 25°C
• Boiling Point: 280.1°C at 760 mmHg
• PKA: 13.97±0.46(Predicted)
• Flash Point: 123.2°C
• PSA: 41.13000
• Density: 1.245g/cm³
• LogP: 2.86360
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.0559907
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(3-CHLORO-4-METHYLPHENYL)-3-METHYLUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Chloro-4-methylphenyl)-3-methylurea

There total 2 articles about 1-(3-Chloro-4-methylphenyl)-3-methylurea 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-(3-chloro-4-methylphenyl)-N,N-dimethylurea (15545-48-9) → 3-(3-chloro-4-methyl)phenylurea (13142-64-8) + N'-(3-chloro-4-methylphenyl)-N-methylurea (22175-22-0) + N'-(3-chloro-4-hydroxymethylphenyl)-N-methylurea (59587-00-7) + N'-(3-chloro-4-hydroxymethylphenyl)-N,N-dimethylurea (59587-03-0) + 2-Chloro-4-(3,3-dimethyl-ureido)-benzoic acid (59587-01-8)

Guidance literature:

at 30 ℃; for 1h; 14C labelling studies; with maize microsomes; enzyme assay; cytochrome P₄₅₀ enzyme; effect of CGA 154281; var. conditions; var. inhibitors of cytochrome P₄₅₀ enzyme;

DOI:10.1016/0031-9422(90)87077-8

Reference yield:

→ N'-(3-chloro-4-methylphenyl)-N-methylurea (22175-22-0)

Guidance literature:

Entspr. O-Acyl-N-methyl-N-(4-tolyl)-hydroxylaminen, HCl;

Reference yield:

N'-(3-chloro-4-methylphenyl)-N-methylurea (22175-22-0) → N-methyl-N-ethylthio-N'-(3-chloro-4-methylphenyl)-urea (41881-59-8)

Guidance literature:

In pyridine; diethyl ether;

upstream raw materials:

N-(3-chloro-4-methylphenyl)-N,N-dimethylurea

Downstream raw materials:

N-methyl-N-ethylthio-N'-(3-chloro-4-methylphenyl)-urea