1396123-91-3 Usage
Molecular structure
1-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole is a pyrazole derivative containing a boron atom and a trifluoromethyl group.
Usage
It is used in the field of medicinal chemistry and drug discovery.
Value in synthesis
It is a valuable building block for the synthesis of various pharmaceuticals and agrochemicals due to the presence of the boron atom in its structure.
Importance as an intermediate
The presence of the trifluoromethyl group makes it a valuable intermediate for the preparation of bioactive compounds.
Potential applications
The compound has potential applications in the development of new drugs for the treatment of various diseases.
Research utility
It could also be used as a tool for chemical biology research.
Check Digit Verification of cas no
The CAS Registry Mumber 1396123-91-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,6,1,2 and 3 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1396123-91:
(9*1)+(8*3)+(7*9)+(6*6)+(5*1)+(4*2)+(3*3)+(2*9)+(1*1)=173
173 % 10 = 3
So 1396123-91-3 is a valid CAS Registry Number.
1396123-91-3Relevant academic research and scientific papers
Synthesis of 4-fluoromethylsydnones and their participation in alkyne cycloaddition reactions
Foster, Robert S.,Adams, Harry,Jakobi, Harald,Harrity, Joseph P. A.
, p. 4049 - 4064 (2013/06/05)
We report the synthesis and some structural studies of 4-trifluoromethyl, 4-difluoromethyl-, and 4-monofluoromethylsydnones. All but the latter compounds are stable and represent effective precursors to a range of pyrazoles after cycloaddition reactions with alkynes. The cycloadditions are generally highly regioselective and provide 5-fluoromethylpyrazole products, although we have observed that Bn-substituted sydnones can provide an unexpected alkyne insertion mode that generates the 3-fluoromethyl isomer.
A general and regioselective synthesis of 5-trifluoromethyl-pyrazoles
Foster, Robert S.,Harrity, Joseph P. A.,Jakobi, Harald
, p. 4858 - 4861,4 (2012/12/12)
Two synthetic approaches to 4-trifluoromethylsydnones, a novel class of these mesoionic reagents, are reported. These compounds undergo regioselective alkyne cycloaddition reactions, thereby providing a general approach to 5-trifluoromethylpyrazoles. This method has been employed in a short formal synthesis of the herbicide fluazolate.
