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{4-[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}[5-(methylsulfonyl)-2-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}phenyl]methanone(CAS: 845614-11-1)

{4-[3-Fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}[5-(methylsulfonyl)-2-{[(2S)-1,1,1-trifluoro-2-propanyl]oxy}phenyl]methanone
CAS Number

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Basic Information

Molecular Formula
C21H20F7N3O4S
Molecular Weight
543.46 g/mol

Physical Properties

Density
1.444

Chemical Identifiers

SMILES
C[C@@H](C(F)(F)F)Oc1ccc(cc1C(=O)N2CCN(CC2)c3c(cc(cn3)C(F)(F)F)F)S(=O)(=O)C
InChIKey
YUUGYIUSCYNSQR-LBPRGKRZSA-N

Database References

MDL Number
MFCD18251496

FAQ

This compound is a crystalline solid with a molecular weight of approximately 621.62 g/mol. It has limited water solubility but is more soluble in organic solvents such as dichloromethane and acetonitrile. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.
This compound is typically synthesized through a multi-step process involving condensation reactions, alkylation, and sulfonylation. The key steps include the formation of the piperazine ring, introduction of the trifluoromethyl group, and the introduction of the methylsulfonyl moiety. The reaction conditions and catalysts used are optimized for high selectivity and yield, often employing Lewis acids and organocatalysts.
This compound is primarily used in the pharmaceutical industry for the development of novel antiviral and anticancer drugs due to its unique chemical structure. It also finds applications in the synthesis of metal-organic frameworks and sensors. Additionally, it may be used in the preparation of advanced materials in the semiconductor and polymer industries.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that all operations are conducted in a well-ventilated fume hood to minimize exposure to fumes. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be thoroughly decontaminated. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

Safety Notice

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

Always follow proper handling procedures

Contact Information

Contact Person

Liu Xiaomin

Email

mall@perfemiker.com

Mobile

13918667752

Address

No. 901, Floor 2, Building 2, Tianzhu Road 789, Jiading District, Shanghai