1-(3-Fluorophenyl)-3-phenylurea

Base Information

• Chemical Name: 1-(3-Fluorophenyl)-3-phenylurea
• CAS No.: 350-79-8
• Molecular Formula: C13H11FN2O
• Molecular Weight: 230.242
• DSSTox Substance ID: DTXSID101302460
• Mol file: 350-79-8.mol

Synonyms:1-(3-fluorophenyl)-3-phenylurea;350-79-8;3-(3-fluorophenyl)-1-phenylurea;N-(3-FLUOROPHENYL)-N'-PHENYLUREA;Cambridge id 5262146;N-(3-FLUOROPHENYL)(PHENYLAMINO)FORMAMIDE;Oprea1_224696;SCHEMBL4555389;N-3-fluorophenyl-N'-phenyl urea;DTXSID101302460;HMS1578L04;MFCD00585370;STK387844;AKOS001223833;MS-11439;CS-0332682;AB00077510-01;SR-01000201855;SR-01000201855-1

Chemical Property of 1-(3-Fluorophenyl)-3-phenylurea

Chemical Property:

• Melting Point: 201 °C
• PSA: 41.13000
• LogP: 3.61570
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.08554114
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

95% ^*data from raw suppliers

N-(3-FLUOROPHENYL)(PHENYLAMINO)FORMAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)F

Technology Process of 1-(3-Fluorophenyl)-3-phenylurea

There total 3 articles about 1-(3-Fluorophenyl)-3-phenylurea 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: 67.0%

meta-fluoroaniline (372-19-0) + 3-phenyl-5H-1,4,2-dioxazol-5-one (19226-36-9) → N-(3-fluoro-phenyl)-N'-phenyl-urea (350-79-8)

Guidance literature:

With sodium acetate; In methanol; at 60 ℃; for 2h;

Reference yield: 64.0%

aniline (62-53-3) + 3-(3-fluorophenyl)-1,4,2-dioxazol-5-one (54547-79-4) → N-(3-fluoro-phenyl)-N'-phenyl-urea (350-79-8)

Guidance literature:

With sodium acetate; In methanol; at 60 ℃; for 2h;

Reference yield:

meta-fluoroaniline (372-19-0) + phenyl isocyanate (103-71-9) → N-(3-fluoro-phenyl)-N'-phenyl-urea (350-79-8)

Guidance literature:

DOI:10.1039/jr9350001821

upstream raw materials:

meta-fluoroaniline

phenyl isocyanate

3-phenyl-5H-1,4,2-dioxazol-5-one

aniline

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