Cas no 139004-93-6 (tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate)

Tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate is a chiral carbamate derivative featuring a piperidine scaffold, widely utilized in pharmaceutical and organic synthesis. Its key advantages include high stereochemical purity, owing to the (S)-configured piperidine moiety, making it valuable for enantioselective applications. The tert-butyloxycarbonyl (Boc) protecting group enhances stability, facilitating handling and storage under standard conditions. This compound serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of peptidomimetics and small-molecule inhibitors. Its well-defined structure and compatibility with diverse reaction conditions make it a reliable choice for medicinal chemistry and asymmetric synthesis.
tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate structure
139004-93-6 structure
Product Name:tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate
CAS No:139004-93-6
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD11975335
CID:836263
Update Time:2025-06-12

tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl (piperidin-2-ylmethyl)carbamate
    • (R)-PIPERIDIN-2-YLMETHYL-CARBAMIC ACID TERT-BUTYL ESTER
    • Carbamic acid, N-[(2S)-2-piperidinylmethyl]-1,1-dimethylethyl ester
    • S-2-BOC-AMINOMETHYL-PIPERIDINE
    • S-2-BOC-aMinoMethyl-piperidine-hcl
    • tert-Butyl (S)-(piperidin-2-ylmethyl)carbamate
    • (S)-2-[[(tert-Butoxycarbonyl)amino]methyl]piperidine
    • tert-butyl N-[(2S)-piperidin-2-ylmethyl]carbamate
    • CARBAMIC ACID, (2-PIPERIDINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER, (S)-
    • tert-butyl N-[[(2S)-piperidin-2-yl]methyl]carbamate
    • tert-butyl N-{[(2S)-piperidin-2-yl]methyl}carbamate
    • DIRUVVRMWMDZAE-VIFPVBQESA-N
    • PB33013
    • (S)-t-Butyl (piperidin-2-ylmethyl)ca
    • tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate
    • MDL: MFCD11975335
    • Inchi: 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
    • InChI Key: DIRUVVRMWMDZAE-VIFPVBQESA-N
    • SMILES: O(C(NC[C@@H]1CCCCN1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 214.16800
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 211
  • Topological Polar Surface Area: 50.4

Experimental Properties

  • Density: 0.981±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (11 g/l) (25 o C),
  • PSA: 50.36000
  • LogP: 2.37290

tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate Security Information

tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate Pricemore >>

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tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate Production Method

Additional information on tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate

Professional Introduction to Compound with CAS No. 139004-93-6 and Product Name: tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate

The compound with the CAS number 139004-93-6 and the product name tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique structural and functional properties, has garnered considerable attention in recent years due to its potential applications in drug development and medicinal chemistry. The precise stereochemistry of the (2S)-2-piperidyl moiety plays a crucial role in determining its biological activity, making it a subject of extensive research and interest.

In the realm of modern pharmaceutical research, the development of chiral compounds has become increasingly important. The presence of the (2S)-2-piperidyl configuration in tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate contributes to its specificity and efficacy, which are essential factors in the design of novel therapeutic agents. This compound exemplifies the growing trend toward the use of stereoselective synthesis to enhance drug performance and minimize side effects.

Recent studies have highlighted the significance of tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate in the context of enzyme inhibition and receptor binding. Its molecular framework allows for strong interactions with biological targets, making it a promising candidate for further investigation. Researchers have been particularly interested in its potential as an intermediate in the synthesis of more complex molecules with enhanced pharmacological properties.

The compound's structural features also make it an attractive scaffold for medicinal chemists seeking to develop new drugs. The combination of a tert-butyl carbamate group and a (2S)-2-piperidyl side chain provides a versatile platform for modifications that can fine-tune its biological activity. This flexibility is crucial for optimizing drug candidates for clinical trials and eventual therapeutic use.

Advances in computational chemistry have further accelerated the study of tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate. Molecular modeling techniques have enabled researchers to predict its behavior in various biological systems, facilitating faster screening processes and reducing the time required for experimental validation. These computational tools are indispensable in modern drug discovery, allowing for more efficient identification of promising candidates.

The synthesis of tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate involves sophisticated organic reactions that highlight the expertise required in pharmaceutical chemistry. The stereocontrol during the introduction of the (2S)-2-piperidyl group is particularly challenging but essential for achieving the desired biological activity. Techniques such as asymmetric hydrogenation and chiral resolution have been employed to ensure high enantiomeric purity, which is critical for therapeutic applications.

In conclusion, tert-butyl N-[[(2S)-2-piperidyl]methyl]carbamate (CAS No. 139004-93-6) stands as a testament to the progress being made in medicinal chemistry. Its unique structural features and potential biological applications make it a valuable compound for further research. As scientific understanding continues to evolve, compounds like this one will play an increasingly important role in the development of new treatments and therapies that address unmet medical needs.

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