Fluroxene

Base Information

• Chemical Name: Fluroxene
• CAS No.: 406-90-6
• Molecular Formula: C4H5 F3 O
• Molecular Weight: 126.078
• Hs Code.: 2909199090
• European Community (EC) Number: 206-977-1
• NSC Number: 760364
• UN Number: 1993
• UNII: FO7JHA3G03
• DSSTox Substance ID: DTXSID5059957
• Nikkaji Number: J1.530J
• Wikipedia: Fluroxene
• Wikidata: Q14850809
• NCI Thesaurus Code: C75097
• ChEMBL ID: CHEMBL141446
• Mol file: 406-90-6.mol

Synonyms:fluroxene

Chemical Property of Fluroxene

Chemical Property:

• Vapor Pressure: 96.6mmHg at 25°C
• Refractive Index: 1.3192
• Boiling Point: 43°Cat760mmHg
• Flash Point: °C
• PSA: 9.23000
• Density: 1.121g/cm³
• LogP: 1.70880
• Storage Temp.: 2-8°C
• Water Solubility.: 4mg/L(temperature not stated)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 126.02924926
• Heavy Atom Count: 8
• Complexity: 75.8
• Transport DOT Label: Combustible Liquid

Purity/Quality:

≥99.0% ^*data from raw suppliers

2,2,2-Trifluoroethyl vinyl ether 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-41-10
• Safety Statements: 16-36-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Waste Anesthetic Gases
• Canonical SMILES: C=COCC(F)(F)F
• Uses: Ca channel blocker, coronary vasodilator

Technology Process of Fluroxene

There total 5 articles about Fluroxene 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: 95.3%

oxirane (75-21-8,99932-75-9) + 2,2,2-trifluoroethanol (75-89-8) → fluroxene (406-90-6)

Guidance literature:

With sulfuric acid; at -20 - 0 ℃; for 3h; Temperature; Inert atmosphere;

Reference yield:

2,2,2-trifluoroethanol (75-89-8) + acetylene (74-86-2,25067-58-7) → fluroxene (406-90-6)

Guidance literature:

With potassium 2,2,2-trifluoroethoxide; at 150 ℃;

Reference yield:

5-chloro-1,1,1-trifluoro-3-oxapentane (1537-70-8) → fluroxene (406-90-6)

Guidance literature:

With propan-1-ol; potassium hydroxide;

upstream raw materials:

5-chloro-1,1,1-trifluoro-3-oxapentane

2,2,2-trifluoroethanol

acetylene

oxirane

Downstream raw materials:

2-chloroethanal

2,2,2-trifluoroethyl formate

2,2,2-trifluoroethyl 1-chloroacetate

Refernces

• 1、 -. "Preparation method of lansoprazole key intermediate". Paragraph 0033; 0037; 0041; 0045; 0049; 0053; 0057; 0061. . Retrieved 2020/07/13.