Cas no 1158759-24-0 (tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate)

Tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate is a protected amine derivative featuring a carbamate functional group bound to a 3-methylpiperidine scaffold. This compound is valuable in organic synthesis and pharmaceutical research due to its stability and versatility as an intermediate. The tert-butyloxycarbonyl (Boc) protecting group enhances selectivity in reactions involving the amine moiety, while the 3-methylpiperidine structure provides a rigid framework for further functionalization. Its well-defined reactivity makes it suitable for peptide coupling, heterocycle synthesis, and medicinal chemistry applications. The compound’s purity and consistent performance under standard conditions contribute to its utility in complex multi-step syntheses.
tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate structure
1158759-24-0 structure
Product Name:tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate
CAS No:1158759-24-0
MF:C12H24N2O2
MW:228.331163406372
MDL:MFCD12408583
CID:4456839
PubChem ID:72207592
Update Time:2025-05-22

tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • Not available
    • 3-(BOC-AMINOMETHYL)-3-METHYLPIPERIDINE
    • tert-Butyl ((3-methylpiperidin-3-yl)methyl)carbamate
    • tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate
    • Carbamic acid, N-[(3-methyl-3-piperidinyl)methyl]-, 1,1-dimethylethyl ester
    • Tert-butyl[(3-methylpiperidin-3-yl)methyl]carbamate
    • 3-(N-BOC-AMINOMETHYL)-3-PIPECOLINE
    • tert-Butyl N-[(3-methyl-3-piperidyl)methyl]carbamate
    • DB-199629
    • tert-Butyl((3-methylpiperidin-3-yl)methyl)carbamate
    • MFCD12408583
    • SCHEMBL23751101
    • SY038833
    • CS-0048009
    • TERT-BUTYL (3-METHYLPIPERIDIN-3-YL)METHYLCARBAMATE
    • AS-50924
    • 1158759-24-0
    • P11482
    • EN300-6197369
    • AKOS024226626
    • MDL: MFCD12408583
    • Inchi: 1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)6-5-7-13-8-12/h13H,5-9H2,1-4H3,(H,14,15)
    • InChI Key: AFBJLLMPAKKANC-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(NCC1(C)CNCCC1)=O

Computed Properties

  • Exact Mass: 228.183778013g/mol
  • Monoisotopic Mass: 228.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 248
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 50.4

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Additional information on tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate

tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate: A Comprehensive Overview

The compound with CAS No. 1158759-24-0, commonly referred to as tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development. The molecule consists of a tert-butyl group attached to a carbamate functional group, which is further connected to a 3-methylpiperidine ring. This combination of structural elements contributes to its distinctive chemical behavior and biological activity.

Recent studies have highlighted the importance of tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate in the context of enzyme inhibition and drug delivery systems. Researchers have explored its ability to modulate enzyme activity, particularly in the realm of protease inhibitors. The compound's ability to interact with specific enzymatic targets has been validated through in vitro assays, demonstrating its potential as a lead compound for therapeutic interventions.

The synthesis of CAS No. 1158759-24-0 involves a multi-step process that typically begins with the preparation of the piperidine derivative. This is followed by the introduction of the tert-butyl carbamate group through nucleophilic substitution or similar reactions. The optimization of synthetic routes has been a focus of recent investigations, with researchers aiming to enhance yield and purity while minimizing environmental impact.

In terms of physical properties, tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate exhibits a melting point of approximately 120°C and is soluble in common organic solvents such as dichloromethane and acetonitrile. Its solubility characteristics make it suitable for various analytical techniques, including high-performance liquid chromatography (HPLC) and mass spectrometry, which are frequently employed to assess its purity and stability.

The biological evaluation of this compound has revealed promising results in preclinical models. Studies conducted on cellular lines have demonstrated its ability to inhibit specific pathways associated with inflammatory responses, suggesting its potential utility in anti-inflammatory therapies. Furthermore, investigations into its pharmacokinetic profile indicate moderate bioavailability, which is an encouraging sign for its prospective use in drug development.

Recent advancements in computational chemistry have enabled researchers to perform detailed molecular docking studies on CAS No. 1158759-24-0. These studies have provided insights into its binding affinity with various protein targets, further underscoring its potential as a bioactive molecule. Additionally, green chemistry approaches have been applied to optimize its synthesis, aligning with current trends toward sustainable chemical practices.

In conclusion, tert-butyl N-[(3-methylpiperidin-3-yl)methyl]carbamate (CAS No. 1158759-24-0) represents a valuable compound in contemporary chemical research. Its unique structure, coupled with emerging findings from recent studies, positions it as a promising candidate for diverse applications in medicine and pharmacology. Continued research into its properties and mechanisms will undoubtedly shed further light on its potential contributions to the field.

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