Benzyl fluoroformate

Base Information

• Chemical Name: Benzyl fluoroformate
• CAS No.: 93942-41-7
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 2915900090
• European Community (EC) Number: 300-593-9
• DSSTox Substance ID: DTXSID90239923
• Nikkaji Number: J267.478E
• Wikidata: Q83122477
• Mol file: 93942-41-7.mol

Synonyms:Benzyl fluoroformate;93942-41-7;EINECS 300-593-9;Fluoroformic acid benzyl ester;SCHEMBL10985493;DTXSID90239923;ZDRODIGYILKBLQ-UHFFFAOYSA-N

Chemical Property of Benzyl fluoroformate

Chemical Property:

• Vapor Pressure: 0.159mmHg at 25°C
• Boiling Point: 214.1°C at 760 mmHg
• Flash Point: 81.1°C
• PSA: 26.30000
• Density: 1.175g/cm³
• LogP: 2.29270
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl fluoroformate

There total 7 articles about Benzyl 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: 89.0%

→ Benzyl Fluoroformate (93942-41-7)

Guidance literature:

Reference yield: 60.0%

benzyl (1-chloroethyl) carbonate (99464-81-0) → Benzyl Fluoroformate (93942-41-7)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; at 55 ℃; for 4h; under 1.2 Torr;

DOI:10.1021/jo00293a032

Reference yield:

benzyl (1-chloroethyl) carbonate (99464-81-0) → Benzyl Fluoroformate (93942-41-7) + benzyl chloride (100-44-7)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; for 4h; under 1.2 Torr; Product distribution; variation of temperature;

DOI:10.1021/jo00293a032

upstream raw materials:

benzyl (1-chloroethyl) carbonate

benzyl alcohol

benzyl chloroformate

malonic acid dibenzyl ester

Downstream raw materials:

benzyl vinyl carbonate

Refernces

• 1、 ?vec, Petr,Eisner, Ale?,Kolá?ová, Lenka,Weidlich, Tomá?,Pejchal, Vladimír,R??i?ka, Ale?. "Use of C,N-chelated di-n-butyltin(IV) fluoride for the synthesis of acyl fluorides, fluoroformates and fluorophosgene". supporting information; scheme or table. p. 6320 - 6323. Retrieved 2009/04/06.
• 2、 Dang, Vu Anh,Olofson, R. A.,Wolf, Patrick R.,Piteau, Marc D.,Senet, Jean-Pierre G.. "A Simple Conversion of 1-Chloroethyl Carbonates to Fluoroformates: Value in the Preparation of Tertiary Alkyl Fluoroformates". . p. 1847 - 1851. Retrieved 2007/10/02.