1-Methyl-3-(4-methylphenyl)urea

Base Information

• Chemical Name: 1-Methyl-3-(4-methylphenyl)urea
• CAS No.: 19873-46-2
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• Hs Code.: 2924299090
• European Community (EC) Number: 667-366-7
• NSC Number: 114140
• DSSTox Substance ID: DTXSID20297117
• Nikkaji Number: J101.518D
• Wikidata: Q82038073
• Mol file: 19873-46-2.mol

Synonyms:1-methyl-3-(4-methylphenyl)urea;19873-46-2;N-Methyl-N'-p-tolylurea;Urea, 1-methyl-3-p-tolyl-;N-Methyl-N1-(4-methylphenyl)urea;Urea, N-methyl-N'-(4-methylphenyl)-;1-(p-Methylphenyl)-3-methylurea;1-Methyl-3-(p-tolyl)urea;NSC114140;SCHEMBL172125;DTXSID20297117;SMMVPWIJFDOZON-UHFFFAOYSA-N;N-Methyl-N'-(4-methylphenyl)urea;AKOS001468990;N-Methyl-N'-(4-methylphenyl)urea #;NSC-114140;Z55293774

Chemical Property of 1-Methyl-3-(4-methylphenyl)urea

Chemical Property:

• Vapor Pressure: 0.0206mmHg at 25°C
• Boiling Point: 251.3°C at 760 mmHg
• Flash Point: 102.6°C
• PSA: 41.13000
• Density: 1.112g/cm³
• LogP: 2.21020
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Methyl-3-(4-methylphenyl)urea

There total 4 articles about 1-Methyl-3-(4-methylphenyl)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: 68.0%

4-n-methylphenylacetylene (766-97-2) → N-Methyl-N'-(4-tolyl)harnstoff (19873-46-2)

Guidance literature:

4-n-methylphenylacetylene; With (triphenylphosphine)gold(I) chloride; silver(I) fluoride; trimethylsilylazide; water; In Trichloroethylene; at 0 ℃; for 0.0833333h; Schlenk technique;

With trifluorormethanesulfonic acid; at 20 ℃; for 4h; Schlenk technique;

With trifluorormethanesulfonic acid; trimethylsilylazide;

DOI:10.1002/anie.201508347

Reference yield:

p-Tolylisocyanate (622-58-2,374675-64-6) + cyanoacetic acid (372-09-8) → N-Methyl-N'-(4-tolyl)harnstoff (19873-46-2)

Guidance literature:

With methylamine;

Reference yield:

p-toluidine (106-49-0,12221-03-3) + methyl isocyanate (624-83-9) → N-Methyl-N'-(4-tolyl)harnstoff (19873-46-2)

Guidance literature:

With benzene;

upstream raw materials:

1,3 dimethyl 1 nitrosourea

p-toluidine

methyl isocyanate

p-Tolylisocyanate

Downstream raw materials:

3-Methyl-1-phenyl-5-(4-tolyl)biuret

N-methyl-N'-(4-methyl-2,6-dinitro-phenyl)-N-nitro-urea

C₁₂H₁₃N₃O₂

5,6-diamino-3-methyl-1-(4-methylphenyl)-2,4 (1H, 3H)-pyrimidinedione