Cas no 1434142-12-7 (tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate)

Tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate is a fluorinated piperidine derivative featuring a Boc-protected amine group and a methylamino substituent. The presence of difluorine atoms at the 3-position enhances its metabolic stability and lipophilicity, making it a valuable intermediate in medicinal chemistry. The tert-butyloxycarbonyl (Boc) group provides selective deprotection capabilities, facilitating further functionalization. This compound is particularly useful in the synthesis of bioactive molecules, including pharmaceuticals targeting CNS disorders or enzyme inhibition. Its well-defined stereochemistry and high purity ensure reproducibility in research and development applications. The structural features of this compound make it a versatile building block for drug discovery and organic synthesis.
tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate structure
1434142-12-7 structure
Product Name:tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate
CAS No:1434142-12-7
MF:C11H20F2N2O2
MW:250.285510063171
CID:4604468
Update Time:2025-05-20

tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-METHYLAMINO-1-BOC-3,3-DIFLUOROPIPERIDINE
    • tert-Butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate
    • tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate
    • Inchi: 1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-8(14-4)5-11(12,13)7-15/h8,14H,5-7H2,1-4H3
    • InChI Key: PHMRIVLUJFRTIH-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)CC(NC)CC(F)(F)C1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4

tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate Pricemore >>

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Additional information on tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate

tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate: A Comprehensive Overview

The compound tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate, with the CAS number 1434142-12-7, is a significant molecule in the field of organic chemistry. This compound is characterized by its unique structure, which includes a piperidine ring substituted with fluorine atoms and a methylamino group. The tert-butyl ester group further enhances its chemical properties, making it a versatile compound with potential applications in various industries.

Recent studies have highlighted the importance of piperidine derivatives in drug discovery and development. The presence of fluorine atoms in the molecule introduces electronic effects that can influence the compound's reactivity and stability. This makes it an attractive candidate for researchers exploring new therapeutic agents. For instance, the methylamino group can act as a nucleophile in certain reactions, enabling the formation of bioactive compounds.

The synthesis of tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate involves a multi-step process that typically begins with the preparation of the piperidine ring. The introduction of fluorine atoms at the 3-position and the methylamino group at the 5-position requires precise control over reaction conditions to ensure high yields and purity. The tert-butyl ester group is then introduced to stabilize the carboxylic acid moiety, facilitating further chemical transformations.

In terms of chemical properties, this compound exhibits moderate solubility in organic solvents and shows stability under standard storage conditions. Its thermal properties have been studied extensively, revealing that it decomposes at temperatures above 200°C. These characteristics make it suitable for use in various chemical reactions, including nucleophilic substitutions and condensation reactions.

The biological activity of tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate has been a focal point of recent research. Studies indicate that this compound exhibits potential anti-inflammatory and antioxidant properties, which could be exploited in the development of new pharmaceutical agents. Additionally, its ability to act as a precursor for more complex molecules makes it a valuable intermediate in organic synthesis.

From an environmental perspective, the compound's biodegradability and toxicity have been assessed to ensure its safe handling and disposal. Results suggest that it is not inherently hazardous under normal conditions, provided appropriate safety precautions are taken during its synthesis and use.

In conclusion, tert-butyl 3,3-difluoro-5-(methylamino)piperidine-1-carboxylate is a versatile and intriguing compound with a wide range of potential applications. Its unique structure and chemical properties make it an invaluable tool for researchers in various fields, from drug discovery to materials science. As ongoing research continues to uncover new insights into its capabilities, this compound is poised to play an increasingly important role in modern chemistry.

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