Phenyl Fluoroformate

Base Information

• Chemical Name: Phenyl Fluoroformate
• CAS No.: 351-80-4
• Molecular Formula: C7H5FO2
• Molecular Weight: 140.114
• DSSTox Substance ID: DTXSID40473416
• Nikkaji Number: J273.853H
• Wikidata: Q82302797
• Mol file: 351-80-4.mol

Synonyms:Phenyl Fluoroformate;351-80-4;phenyl carbonofluoridate;Phenylfluoroformate;SCHEMBL7519309;DTXSID40473416;VRDZDFJZFWYWIQ-UHFFFAOYSA-N;MFCD28361576;SY319287

Chemical Property of Phenyl Fluoroformate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.02735756
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Phenyl Fluoroformate

There total 9 articles about Phenyl Fluoroformate 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: 93.5%

[1,3]-dioxolan-2-one (96-49-1) + phenyl chloroformate (1885-14-9) → phenyl fluoroformate (351-80-4)

Guidance literature:

With potassium fluoride;

Reference yield: 85.0%

phenyl chloroformate (1885-14-9) → phenyl fluoroformate (351-80-4)

Guidance literature:

With sodium fluoride; 15-crown-5; In acetonitrile; at 20 - 40 ℃; for 16h;

Reference yield: 70.0%

phenyl-α-chloroethyl-carbonate (50972-20-8) → phenyl fluoroformate (351-80-4)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; at 75 ℃; for 1.5h; under 20 Torr;

DOI:10.1021/jo00293a032

upstream raw materials:

1-trifluoromethoxybenzene

phenyl-α-chloroethyl-carbonate

phenyl chloroformate

benzene

Downstream raw materials:

2,3,3,3-Tetrafluoro-2-trifluoromethyl-propionic acid phenyl ester

ethyl phenyl carbonate

bis(phenyl) carbonate

fluorobenzene

Refernces

• 1、 -. "Synthesis of vinyl carbonates for use in producing vinyl carbamates". Example 1. . Retrieved 2008/06/13.
• 2、 Suyama, T.,Kato, S.,Mizutani, Y.. "Preparations of carboxylic acid esters containing heptafluoroisopropyl groups". . p. 93 - 99. Retrieved 2007/10/02.