3,3-dimethylpropargyl fluoride

Synonym
Product Category
Product Code
CAS Number
MDL Number
Pubchem CID
Reaxys RN
3-fluoro-3-methylbut-1-yne
Fluorinated Building Blocks
KUMI1F72
53731-17-2

23234136
2424305
image-155171-Trimethyl(trifluoromethyl)silane_reagent.png
Chemical Name
Molecular Formula
Molecular Weight
Assay(Analysis Method)
Appearance
Boiling Point
Packaging
Storage
3,3-dimethylpropargyl fluoride
C5H7F
86.11
≥98%
Colorless to Yellow Liquid
43-47°C
2g,5g,10g,50g,100g,500g and 1kg
Store at 2-8°C temperature
3-fluoro-3-methylbut-1-yne is a useful building block for the synthesis of various fluorinated pharmaceutically active molecules, e.g. indazole TRPV1 antagonist ABT-116 for pain management.
Infrared, Raman and far infrared spectra, ab initio calculations, and internal rotation of 3-fluoro-3-methyl-1-butyne. [1]
Discovery of TRPV1 antagonist ABT-116. [2]
References:
[1] G.A.Guirgis, et al, Phys. Chem. Chem. Phys., 2004, 6(15), pp 3919-3927.
[2] B.S.Brown, et al, Bioorg. Med. Chem. Lett., 2010, 20(11), pp 3291-3294.
Signal Word
Hazard Statements
Precautionary Statements
HS Code
RIDADR
Legal Information
Danger
H225,H302+H312+H332
P210,P280

UN 1993BF 3/PG II

1. Product Specification
2. Safety Data Sheet
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