Flurothyl

Base Information

• Chemical Name: Flurothyl
• CAS No.: 333-36-8
• Molecular Formula: C4H4 F6 O
• Molecular Weight: 182.066
• Hs Code.: 29091990
• European Community (EC) Number: 626-793-9
• NSC Number: 760127
• UNII: 9Z467FG2YK
• DSSTox Substance ID: DTXSID5046516
• Nikkaji Number: J5.680D
• Wikipedia: Flurothyl
• Wikidata: Q5462894
• NCI Thesaurus Code: C76624
• Metabolomics Workbench ID: 152044
• ChEMBL ID: CHEMBL477874
• Mol file: 333-36-8.mol

Synonyms:Fluorothyl;Flurothyl;Flurotyl;Indoklon

Chemical Property of Flurothyl

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 180mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: n20/D 1.300(lit.)
• Boiling Point: 63.9°Cat760mmHg
• Flash Point: 1.7°C
• PSA: 9.23000
• Density: 1.361g/cm³
• LogP: 2.12760
• Storage Temp.: Flammables area
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 182.01663372
• Heavy Atom Count: 11
• Complexity: 98.7

Purity/Quality:

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

Bis(2,2,2-trifluoroethyl) Ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi,T
• Hazard Codes: F,Xi,T
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)OCC(F)(F)F
• Uses: 5HT agonist Bis(2,2,2-trifluoroethyl) ether was used to diminish self-discharge of Li-S cells having both low- and high-sulfur-loading sulfur cathodes. Bis(2,2,2-trifluoroethyl) Ether is Prophylactic and/or therapeutic agent for Alzheimer''s disease.
• Therapeutic Function: Central stimulant, Convulsant

Technology Process of Flurothyl

There total 19 articles about Flurothyl 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: 97.4%

1,1,1-trifluoro-2-chloroethane (75-88-7) + 2,2,2-trifluoroethanol (75-89-8) → 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8)

Guidance literature:

With potassium hydroxide; In 1,2-dimethoxyethane; at 70 ℃; for 4h; Temperature;

Reference yield: 93.3%

2,2,2-trifluoroethanol (75-89-8) → 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8)

Guidance literature:

2,2,2-trifluoroethanol; With magnesium sulfate; sodium hydroxide; at 60 ℃; for 5h;

With thionyl chloride; at -5 - 50 ℃; for 4h; Temperature; Inert atmosphere;

Reference yield: 86.0%

2,2,2-trifluoroethanol (75-89-8) + trifluoromethane sulfonyl chloride (421-83-0) → 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (333-36-8) + 2,2,2-trifluoroethyl trifluoromethanesulphonate (6226-25-1)

Guidance literature:

With potassium carbonate; triethylamine; In water; at 13.8 - 21 ℃; for 4 - 5.5h; Product distribution / selectivity;

upstream raw materials:

2,2,2-trifluoroethanol

2,2'-oxybis-acetic acid

2-bromo-1,1,1-trifluoroethane

potassium hydrogencarbonate

Downstream raw materials:

2,2,2-trifluoroethyl trifluoroacetate

2,2,2-trifluoroethyl formate

1,1,1,2-Tetrafluoro-2-(2,2,2-trifluoro-ethoxy)-ethane

1,1,1,4,4,4-Hexafluoro-2,3-butanediol bis(2,2,2-trifluoroethyl) ether

Refernces

• 1、 Wu, Kai,Chen, Qing-Yun. "Synthesis of trifluoroethyl ethers from 2,2,2-trifluoroethyl chloride (HCFC-133a) in high temperature aqueous medium". . p. 79 - 83. Retrieved 2002.
• 2、 -. "Synthesis method and application of bis(2, 2, 2-trifluoroethyl) ether". Paragraph 0057-0058. . Retrieved 2021/02/10.
• 3、 -. "A trifluoro ethyl ether synthesis method". Paragraph 0017-0022. . Retrieved 2019/04/13.