3-Ethyl 1-(2-methyl-2-propanyl) 5,5-difluoro-1,3-piperidinedicarboxylate | CAS No. 1356339-26-8

3-Ethyl 1-(2-methyl-2-propanyl) 5,5-difluoro-1,3-piperidinedicarboxylate

Basic Information

CAS Number

1356339-26-8

Molecular Formula

C13H21F2NO4

Molecular Weight

293.31 g/mol

AD

Basic Physical Properties

Physical State

NA

Boiling Point

327.7±42.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

234.2±28.7 °C

CCOC(=O)C1CC(CN(C1)C(=O)OC(C)(C)C)(F)F

InChI

InChI=1S/C13H21F2NO4/c1-5-19-10(17)9-6-13(14,15)8-16(7-9)11(18)20-12(2,3)4/h9H,5-8H2,1-4H3

InChIKey

WSFZFIOMRZLJIA-UHFFFAOYSA-N

LogP

2.4418000000000006

Topological Polar Surface Area

55.84 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

379

Synonyms & References

English

  • 1-tert-butyl 3-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate
  • 1-O-tert-butyl 3-O-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate
  • PC430162
  • 1-Boc-3-Ethyl 5,5-difluoropiperidine-3-carboxylate
  • 1-tert-butyl3-ethyl5,5-difluoropiperidine-1,3-dicarboxylate
  • 1-Boc-5,5-difluoro-piperidine-3-carboxylic acid ethyl ester

MDL Number

MFCD21601880

FAQ

What are the physical and chemical properties of 3-Ethyl 1-(2-methyl-2-propanyl) 5,5-difluoro-1,3-piperidinedicarboxylate (CAS: 1356339-26-8)?

The compound is a white crystalline solid with a molecular weight of approximately 322.11 g/mol. It has a low solubility in water but good solubility in organic solvents like dichloromethane and ethanol. It is mildly reactive, showing limited reactions with alcohols and phenols. The compound is stable under normal conditions but should be stored away from strong acids and bases.

How is 3-Ethyl 1-(2-methyl-2-propanyl) 5,5-difluoro-1,3-piperidinedicarboxylate (CAS: 1356339-26-8) typically synthesized?

The compound is typically synthesized via a multistep process involving alkylation and condensation reactions. The synthesis generally requires the use of a suitable catalyst and anhydrous conditions. The final product can be isolated by recrystallization from a suitable solvent, with a yield of around 85-90%. The process may involve the use of anhydrous solvents, such as dichloromethane, and requires careful handling of reagents.

What industries use 3-Ethyl 1-(2-methyl-2-propanyl) 5,5-difluoro-1,3-piperidinedicarboxylate (CAS: 1356339-26-8)?

The compound is primarily used in the pharmaceutical industry as a precursor for the synthesis of other compounds. It is also utilized in the polymer and sensor industries due to its chemical stability and unique functional groups. In the semiconductor industry, it can be used in the fabrication of certain electronic materials.

What precautions should be taken when handling 3-Ethyl 1-(2-methyl-2-propanyl) 5,5-difluoro-1,3-piperidinedicarboxylate (CAS: 1356339-26-8)?

When handling the compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

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