Fluorofelbamate

Base Information

• Chemical Name: Fluorofelbamate
• CAS No.: 726-99-8
• Molecular Formula: C₁₁H₁₃FN₂O₄
• Molecular Weight: 256.234
• UNII: 8D3K83LJ8V
• DSSTox Substance ID: DTXSID40222926
• Nikkaji Number: J2.793.898A
• Wikidata: Q27148981
• NCI Thesaurus Code: C98236
• Mol file: 726-99-8.mol

Synonyms:2-fluoro-2-phenyl-1,3-propanediyl dicarbamate;Fluorofelbamate

Chemical Property of Fluorofelbamate

Chemical Property:

• Vapor Pressure: 1.73E-11mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 534.2 °C at 760 mmHg
• Flash Point: 276.9 °C
• Density: 1.331 g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 256.08593506
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Fluorofelbamate

There total 1 articles about Fluorofelbamate 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: 78.0%

2-phenylpropane-1, 3-diol (1570-95-2) + 1,1'-carbonyldiimidazole (530-62-1) + 2-fluoro-2-phenyl-1,3-propanediol (211506-14-8) → Fluorofelbamate (726-99-8) + Fluoro monocarbamate felbamate (288302-42-1) + 2-phenyl-1,3-propanediol monocarbamate (25451-53-0) + felbamate (25451-15-4)

Guidance literature:

2-phenylpropane-1, 3-diol; 1,1'-carbonyldiimidazole; 2-fluoro-2-phenyl-1,3-propanediol; In tetrahydrofuran;

With ammonium carbonate; In tetrahydrofuran; for 38 - 72h; Molecular sieve;

upstream raw materials:

2-phenylpropane-1, 3-diol

1,1'-carbonyldiimidazole

2-fluoro-2-phenyl-1,3-propanediol

Refernces