2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate | CAS No. 745066-46-0

2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate

Basic Information

CAS Number

745066-46-0

Molecular Formula

C16H24N2O2S

Molecular Weight

308.45 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCC(CC1)CSc2ccccn2

InChI

InChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-10-7-13(8-11-18)12-21-14-6-4-5-9-17-14/h4-6,9,13H,7-8,10-12H2,1-3H3

InChIKey

NGZPZDSBKOJWPT-UHFFFAOYSA-N

LogP

3.820800000000003

Topological Polar Surface Area

42.43 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • tert-Butyl 4-((pyridin-2-ylthio)methyl)piperidine-1-carboxylate

MDL Number

MFCD21099082

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate (CAS: 745066-46-0)?

2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate is a crystalline compound with a high melting point. The molecular weight is approximately 335 g/mol. It has limited solubility in water but is soluble in common organic solvents. The compound is relatively stable but may react with strong acids or bases. It is used in pharmaceutical applications and has a pKa of about 5.5.

How is 2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate (CAS: 745066-46-0) typically synthesized?

2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate is typically synthesized via a multi-step reaction involving the coupling of a 2-pyridine sulfide with 2-methyl-2-propanyl 1-piperidinecarboxylate. The reaction is catalyzed by a suitable Lewis acid and proceeds with good selectivity. The yield of the product is around 75-85%, depending on the reaction conditions.

What industries use 2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate (CAS: 745066-46-0)?

2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate is primarily used in the pharmaceutical industry for the synthesis of prodrugs and as an intermediate in drug development. It is also of interest in the polymer industry for its potential in modifying the properties of polymers. Additionally, it has applications in the development of sensors and electronic devices.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate (CAS: 745066-46-0)?

Proper handling of 2-Methyl-2-propanyl 4-[(2-pyridinylsulfanyl)methyl]-1-piperidinecarboxylate requires the use of appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up using appropriate laboratory procedures and the material safety data sheet (MSDS) should be consulted for specific instructions. Handling this compound should be done in a well-ventilated area or a fume hood to minimize exposure to fumes.

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