3-Fluoro-3-nitrooxetane

Base Information

• Chemical Name: 3-Fluoro-3-nitrooxetane
• CAS No.: 70187-44-9
• Molecular Formula: C3H4FNO3
• Molecular Weight: 121.0672
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID90506788
• Mol file: 70187-44-9.mol

Synonyms:3-fluoro-3-nitrooxetane;70187-44-9;3-Fluoro-3-nitro-oxetane;SCHEMBL11422486;DTXSID90506788;AKOS015833441;AB71737;AM20020045;CS-0454997;FT-0685164;J-512468

Chemical Property of 3-Fluoro-3-nitrooxetane

Chemical Property:

• Vapor Pressure: 2.53mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 159.2 °C at 760 mmHg
• Flash Point: 50.1 °C
• PSA: 55.05000
• Density: 1.44 g/cm³
• LogP: 0.48230
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 121.01752115
• Heavy Atom Count: 8
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluoro-3-nitrooxetane >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CO1)([N+](=O)[O-])F

Technology Process of 3-Fluoro-3-nitrooxetane

There total 1 articles about 3-Fluoro-3-nitrooxetane 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: 61.4%

2-Fluoro-3-hydroxy-2-nitro-1-propyl triflate (70187-43-8) → 3-Fluoro-3-nitrooxetane (70187-44-9)

Guidance literature:

With 1,5-Diazabicyclo[5.4.0]undec-5-ene; In dichloromethane; for 1.25h;

DOI:10.1021/jo01312a010

upstream raw materials:

2-Fluoro-3-hydroxy-2-nitro-1-propyl triflate