1,3-Bis(3-fluorophenyl)urea

Base Information

• Chemical Name: 1,3-Bis(3-fluorophenyl)urea
• CAS No.: 369-83-5
• Molecular Formula: C13H10F2N2O
• Molecular Weight: 248.232
• European Community (EC) Number: 665-050-3
• Mol file: 369-83-5.mol

Synonyms:1,3-bis(3-fluorophenyl)urea;b-mFPU;N,N'-bis(3-Fluorophenyl)urea;AKOS001453336;Z281786762

Chemical Property of 1,3-Bis(3-fluorophenyl)urea

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.07611927
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Bis(3-fluorophenyl)urea

There total 6 articles about 1,3-Bis(3-fluorophenyl)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: 26.0%

meta-fluoroaniline (372-19-0) + carbon monoxide (201230-82-2) → 1,3-bis(3-fluorophenyl)urea (369-83-5)

Guidance literature:

With Co₂Rh₂; oxygen; In tetrahydrofuran; at 100 ℃; for 15h; under 3800.26 Torr; Autoclave;

DOI:10.1002/adsc.200900106

Reference yield: 14.0%

3-fluoro-benzenemethanol (456-47-3) → 3-fluorobenzamide (455-37-8) + 1,3-bis(3-fluorophenyl)urea (369-83-5)

Guidance literature:

With sodium azide; [bis(acetoxy)iodo]benzene; In acetonitrile; at 0 - 80 ℃; for 36h; Inert atmosphere;

DOI:10.1002/adsc.201000318

Reference yield:

bis-(3-fluoro-phenyl)-carbodiimide (351-27-9) → 1,3-bis(3-fluorophenyl)urea (369-83-5)

Guidance literature:

With perchloric acid;

upstream raw materials:

bis-(3-fluoro-phenyl)-carbodiimide

meta-fluoroaniline

N,N'-di(3-fluorophenyl)thiourea

carbon monoxide

Downstream raw materials:

2-(3-fluorophenyl)isoindoline-1,3-dione

N,N'-di(m-fluorophenyl)formamidine

bis-(3-fluoro-phenyl)-carbodiimide

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