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

Basic Information

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CAS Number

1570496-34-2

Molecular Formula

C25H25F3N6O4S

Molecular Weight

562.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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Cc1nc(nn1Cc1cccc(c1)N1CCC(CC1)S(=O)(=O)C)c1onc(n1)c1ccc(cc1)OC(F)(F)F

InChI

InChI=1S/C25H25F3N6O4S/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36/h3-9,14,21H,10-13,15H2,1-2H3

InChIKey

HWJWNWZJUYCGKV-UHFFFAOYSA-N

LogP

4.263820000000004

Topological Polar Surface Area

116.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

909

Synonyms & References

English

5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
IACS-10759 (IACS-010759 )
IACS-010759
HWJWNWZJUYCGKV-UHFFFAOYSA-N
IACS 010759 - Bio-X
BCP20596
s8731
AK549747
4-Methanesulfonyl-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
5-[5-Methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoro
IACS10759
42W52V11DJ
5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
IACS 10759
NSC809972
IACS 010759 [WHO-DD]
N

MDL Number

MFCD30489429

FAQ

What are the physical and chemical properties 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 (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 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.

How is 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) typically synthesized?

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.

What industries use 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 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.

What precautions should be taken 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 (CAS: 1570496-34-2)?

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.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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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 No. 1570496-34-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties 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 (CAS: 1570496-34-2)?

How is 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) typically synthesized?

What industries use 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)?

What precautions should be taken 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 (CAS: 1570496-34-2)?

Related Compounds

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