N-Methyl-N'-phenyl-N-prop-2-yn-1-ylurea

Base Information

• Chemical Name: N-Methyl-N'-phenyl-N-prop-2-yn-1-ylurea
• CAS No.: 69921-21-7
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.229
• NSC Number: 196164
• DSSTox Substance ID: DTXSID40307883
• Nikkaji Number: J2.968.178C
• Wikidata: Q82055468
• Mol file: 69921-21-7.mol

Synonyms:69921-21-7;NSC196164;DTXSID40307883;NSC-196164;N-Methyl-N'-phenyl-N-prop-2-yn-1-ylurea

Chemical Property of N-Methyl-N'-phenyl-N-prop-2-yn-1-ylurea

Chemical Property:

• Vapor Pressure: 1.72E-05mmHg at 25°C
• Boiling Point: 364.2°Cat760mmHg
• Flash Point: 174°C
• Density: 1.154g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC#C)C(=O)NC1=CC=CC=C1

Technology Process of N-Methyl-N'-phenyl-N-prop-2-yn-1-ylurea

There total 3 articles about N-Methyl-N'-phenyl-N-prop-2-yn-1-ylurea 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: 97.0%

methyl(propargyl)amine (35161-71-8) + phenyl isocyanate (103-71-9) → N’-phenyl-N-methyl-N-(propargyl)urea (69921-21-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1002/adsc.201400776

Reference yield: 85.0%

methyl(propargyl)amine (35161-71-8) + phenyl isocyanate (103-71-9) → 1,4-dimethyl-3-phenyl-1H-imidazol-2(3H)-one + N’-phenyl-N-methyl-N-(propargyl)urea (69921-21-7)

Guidance literature:

methyl(propargyl)amine; phenyl isocyanate; In acetonitrile; at 0 - 5 ℃; for 0.0833333h; Inert atmosphere;

With copper(II) bis(trifluoromethanesulfonate); In acetonitrile; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo200789t

Reference yield:

→ N’-phenyl-N-methyl-N-(propargyl)urea (69921-21-7)

Guidance literature:

/BRN= 471391/, /BRN= 71242/;

DOI:10.1021/jf60223a049

upstream raw materials:

methyl(propargyl)amine

phenyl isocyanate

Downstream raw materials:

1-methyl-1-(nona-2,4-diynyl)-3-phenylurea

6-(hex-1-ynyl)-3-methyl-1-phenyl-3,4-dihydropyrimidin-2(1H)-one

1-methyl-4-methylene-3-phenylimidazolidin-2-one