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4-(Methylsulfonyl)-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine(CAS: 1570496-34-2)

4-(Methylsulfonyl)-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine
CAS Number

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Basic Information

Molecular Formula
C25H25F3N6O4S
Molecular Weight
562.57 g/mol

Chemical Identifiers

SMILES
Cc1nc(nn1Cc1cccc(c1)N1CCC(CC1)S(=O)(=O)C)c1onc(n1)c1ccc(cc1)OC(F)(F)F
InChIKey
HWJWNWZJUYCGKV-UHFFFAOYSA-N

Database References

MDL Number
MFCD30489429

FAQ

4-(Methylsulfonyl)-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine is a crystalline solid with a molecular weight of approximately 845.5 g/mol. It has low water solubility and excellent solubility in organic solvents like DMSO and DMF. This compound is highly reactive, showing significant electrophilic and nucleophilic reactivity potential. It is also stable under neutral and slightly acidic conditions, but may degrade under basic conditions or upon exposure to heat and light.
The synthesis of 4-(Methylsulfonyl)-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine typically involves several steps, including the synthesis of the 1,2,4-oxadiazole derivative, its coupling with the 1H-1,2,4-triazole, and subsequent piperidine coupling. The reaction is catalyzed by a palladium complex, and the overall process yields about 70-80% of the desired product. The synthesis requires careful temperature and time control to ensure high selectivity.
4-(Methylsulfonyl)-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine is primarily used in the pharmaceutical industry as a key intermediate in the synthesis of novel drugs. It is also used in the development of chemical sensors and semiconductors due to its unique electronic and structural properties.
When handling 4-(Methylsulfonyl)-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine, it is crucial to wear appropriate personal protective equipment (PPE), including gloves and a respirator, to avoid inhalation or skin contact. Work should be conducted in a well-ventilated fume hood. Spillage should be cleaned up using appropriate absorbents and decontaminants. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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