2,2,2-Trifluoroethyl formate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl formate
• CAS No.: 32042-38-9
• Molecular Formula: C3H3 F3 O2
• Molecular Weight: 128.051
• Hs Code.: 29151300
• European Community (EC) Number: 628-307-0
• DSSTox Substance ID: DTXSID30185859
• Nikkaji Number: J1.327.045G
• Wikidata: Q66084510
• Mol file: 32042-38-9.mol

Synonyms:2,2,2-trifluoroethyl formate;trifluoroethyl formate

Chemical Property of 2,2,2-Trifluoroethyl formate

Chemical Property:

• Refractive Index: n 20/D <1.001
• Boiling Point: 33.7°Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: 1.304g/cm³
• LogP: 1.35760
• Storage Temp.: Flammables area
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 128.00851382
• Heavy Atom Count: 8
• Complexity: 77.1

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoroethyl Formate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)OC=O
• Uses: Reagent for the formylation of alcohols and amines. Hydroxylamines provide high yields of the N-formylated product.

Technology Process of 2,2,2-Trifluoroethyl formate

There total 3 articles about 2,2,2-Trifluoroethyl formate 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: 85.0%

1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8) → 2,2,2-trifluoroethyl trifluoroacetate (407-38-5) + 2,2,2-trifluoroethyl formate (32042-38-9)

Guidance literature:

With synthetic air; clorine; at 24.84 ℃; under 759.826 Torr; Further Variations:; Reagents; Kinetics;

DOI:10.1021/es0497330

Reference yield:

fluroxene (406-90-6) → 2-chloroethanal (107-20-0) + 2,2,2-trifluoroethyl formate (32042-38-9) + 2,2,2-trifluoroethyl 1-chloroacetate (151914-34-0)

Guidance literature:

With oxygen; nitrogen(II) oxide; trifluoroacetyl chloride; at 24.84 ℃; under 760 Torr; Kinetics; Photolysis;

DOI:10.1002/cphc.201300559

Reference yield:

2,2,2-trifluoroethyl methyl ether (460-43-5) → Carbonyl fluoride (353-50-4) + Methyl formate (107-31-3) + 2,2,2-trifluoroethyl formate (32042-38-9)

Guidance literature:

With nitrogen; oxygen; chlorine; nitrosyl hydride; at 22.84 ℃; under 700 Torr; Reagent/catalyst; Pressure; Kinetics; Mechanism; Photolysis;

DOI:10.1016/j.cplett.2011.12.047

upstream raw materials:

1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

2,2,2-trifluoroethyl methyl ether

fluroxene

Downstream raw materials:

menthyl formate

(S)-N-formyl-1-phenylethylamine

(S)-2-Formylamino-3-hydroxy-propionic acid benzyl ester

N-[2-(tert-butyldimethylsilanyloxy)-1-(4-(4-trifluoromethoxyphenoxy)phenylsulfonylmethyl)ethyl]-N-hydroxyformamide

Refernces

• 1、 Bravo, Ivan,Rodriguez, Ana,Rodriguez, Diana,Diaz-De-Mera, Yolanda,Notario, Alberto,Aranda, Alfonso. "Atmospheric chemistry and environmental assessment of inhalational fluroxene". . p. 3834 - 3842. Retrieved 2013/11/19.