(4-Fluoroanilino)urea

Base Information

• Chemical Name: (4-Fluoroanilino)urea
• CAS No.: 16901-37-4
• Molecular Formula: C₇H₈FN₃O
• Molecular Weight: 169.158
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID90396464
• Nikkaji Number: J364.569J
• Wikidata: Q82197194
• Mol file: 16901-37-4.mol

Synonyms:(4-fluoroanilino)urea;16901-37-4;1-(4-FLUOROPHENYL)SEMICARBAZIDE;[(4-fluorophenyl)amino]urea;2-(4-fluorophenyl)hydrazinecarboxamide;4-fluorophenyl semicarbazide;SCHEMBL6156958;1-(p-Fluorophenyl)semicarbazide;DTXSID90396464;AKOS006240985;FT-0605727;5B-055

Chemical Property of (4-Fluoroanilino)urea

Chemical Property:

• Refractive Index: 1.618
• PSA: 67.15000
• Density: 1.378g/cm³
• LogP: 1.98510
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 169.06514005
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NNC(=O)N)F

Technology Process of (4-Fluoroanilino)urea

There total 1 articles about (4-Fluoroanilino)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:

→ 1-(4-Fluor-phenyl)-semicarbazid (16901-37-4)

Guidance literature:

4-Fluor-phenylhydrazin, KOCN (nach Fischer, A.190 <1878> 113);

Reference yield:

1-(4-Fluor-phenyl)-semicarbazid (16901-37-4) → 1,5-Bis-(4-fluoro-phenyl)-3-methoxy-1H-[1,2,4]triazole (128991-88-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) pyridine, 2) 10percent aq. KOH / 1) benzene, 3h, heating, 2) ethanol, 60 deg C, 1h

2: 50 percent / K₂CO₃ / acetone / 8 h / Heating

With pyridine; potassium hydroxide; potassium carbonate; In acetone;

DOI:10.1002/ardp.19903230408

Reference yield:

1-(4-Fluor-phenyl)-semicarbazid (16901-37-4) → 5-(4-Chloro-phenyl)-1-(4-fluoro-phenyl)-3-methoxy-1H-[1,2,4]triazole (128991-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) pyridine, 2) 10percent aq. KOH / 1) benzene, 3h, heating, 2) ethanol, 60 deg C, 1h

2: 30 percent / K₂CO₃ / acetone / 8 h / Heating

With pyridine; potassium hydroxide; potassium carbonate; In acetone;

DOI:10.1002/ardp.19903230408

Downstream raw materials:

1,5-Bis-(4-fluoro-phenyl)-1H-[1,2,4]triazol-3-ol

5-(4-Chloro-phenyl)-1-(4-fluoro-phenyl)-1H-[1,2,4]triazol-3-ol

1-(4-Fluoro-phenyl)-5-(2-methylsulfanyl-phenyl)-1H-[1,2,4]triazol-3-ol

1,5-Bis-(4-fluoro-phenyl)-3-methoxy-1H-[1,2,4]triazole