Urea, 1-(p-fluorophenyl)-3-methyl-

Base Information

• Chemical Name: Urea, 1-(p-fluorophenyl)-3-methyl-
• CAS No.: 772-55-4
• Molecular Formula: C8H9FN2O
• Molecular Weight: 168.17
• NSC Number: 69426
• DSSTox Substance ID: DTXSID10227948
• Nikkaji Number: J59.488A
• Wikidata: Q83107789
• Mol file: 772-55-4.mol

Synonyms:Urea, 1-(p-fluorophenyl)-3-methyl-;772-55-4;1-(p-Fluorophenyl)-3-methylurea;N-(4-Fluorophenyl)-N'-methylurea;NSC 69426;BRN 2718771;NSC69426;SCHEMBL7951644;DTXSID10227948;N-Methyl-N'-(4-fluorophenyl)urea;NSC-69426;AKOS024390058;LS-160270;Z55293762

Chemical Property of Urea, 1-(p-fluorophenyl)-3-methyl-

Chemical Property:

• Vapor Pressure: 0.0647mmHg at 25°C
• Boiling Point: 230.8°C at 760 mmHg
• Flash Point: 93.4°C
• PSA: 41.13000
• Density: 1.24g/cm³
• LogP: 2.04090
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.06989108
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

1-(4-FLUOROPHENYL)-3-METHYLUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)NC1=CC=C(C=C1)F

Technology Process of Urea, 1-(p-fluorophenyl)-3-methyl-

There total 3 articles about Urea, 1-(p-fluorophenyl)-3-methyl- 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:

para-fluorophenyl isocyanate (1195-45-5) + cyanoacetic acid (372-09-8) → N-(4-fluorophenyl)-N'-methyl-urea (772-55-4)

Guidance literature:

With methylamine;

Reference yield:

methyl isocyanate (624-83-9) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)-N'-methyl-urea (772-55-4)

Guidance literature:

In chloroform;

DOI:10.1021/jm00342a010

Reference yield:

para-fluorophenyl isocyanate (1195-45-5) + methylamine (74-89-5) → N-(4-fluorophenyl)-N'-methyl-urea (772-55-4)

Guidance literature:

In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.bmcl.2006.05.102

upstream raw materials:

methyl isocyanate

4-fluoroaniline

para-fluorophenyl isocyanate

methylamine

Downstream raw materials:

N'-(4-fluorophenyl)-N-methyl-N-nitroso-urea

1-(2-Cyano-acetyl)-3-(4-fluoro-phenyl)-1-methyl-urea

5,6-diamino-1-(4-fluoro-phenyl)-3-methyl-1H-pyrimidine-2,4-dione

6-amino-1-(4-fluoro-phenyl)-3-methyl-1H-pyrimidine-2,4-dione

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