3,3-Bis(fluoromethyl)oxetane

Base Information

• Chemical Name: 3,3-Bis(fluoromethyl)oxetane
• CAS No.: 338-61-4
• Molecular Formula: C5H8F2O
• Molecular Weight: 122.1132
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60504094
• Nikkaji Number: J801.486H
• Wikidata: Q82358350
• Mol file: 338-61-4.mol

Synonyms:3,3-bis(fluoromethyl)oxetane;338-61-4;3,3-bis-fluoromethyl-oxetane;SCHEMBL2526276;DTXSID60504094;AKOS015853806;AB71734;AM20020032;CS-0451254;FT-0685134;3,3-BIS(FLUOROMETHYL)OXETANE[338-61-4];J-511059

Chemical Property of 3,3-Bis(fluoromethyl)oxetane

Chemical Property:

• Vapor Pressure: 4.294mmHg at 25°C
• Refractive Index: 1.36
• Boiling Point: 153.328 °C at 760 mmHg
• Flash Point: 52.532 °C
• PSA: 9.23000
• Density: 1.076 g/cm³
• LogP: 0.94200
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 122.05432120
• Heavy Atom Count: 8
• Complexity: 74.5

Purity/Quality:

97% ^*data from raw suppliers

3,3-Bis(Fluoromethyl)oxetane >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CO1)(CF)CF

Technology Process of 3,3-Bis(fluoromethyl)oxetane

There total 6 articles about 3,3-Bis(fluoromethyl)oxetane 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: 35.0%

3,3-bis(chloromethyl)oxetane (78-71-7,25323-58-4) → 3,3-bis-fluoromethyl-oxetane (338-61-4) + 3-Chloromethyl-3-fluoromethyl-oxetane (74465-76-2)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; at 100 ℃; for 23h;

DOI:10.1021/jo01307a047

Reference yield:

2,2-bis(bromomethyl)-3-bromo-propan-1-ol (1522-92-5) → 3,3-bis-fluoromethyl-oxetane (338-61-4) + 3-fluoro-2-fluoromethyl-1-propene (400-11-3)

Guidance literature:

With potassium fluoride; diethylene glycol; at 160 ℃;

Reference yield:

3,3-bis(bromomethyl)oxetane (2402-83-7) → 3,3-bis-fluoromethyl-oxetane (338-61-4)

Guidance literature:

With potassium fluoride; ethylene glycol;

upstream raw materials:

3,3-bis(bromomethyl)oxetane

2,2-bis(bromomethyl)-3-bromo-propan-1-ol

3,3-bis(chloromethyl)oxetane

diethylene glycol