Cas no 746658-72-0 (1-Boc-2-cyano-2-methylpiperidine)

1-Boc-2-cyano-2-methylpiperidine is a protected piperidine derivative featuring a Boc (tert-butoxycarbonyl) group and a cyano substituent at the 2-position, adjacent to a methyl group. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The Boc group provides stability under basic conditions while allowing selective deprotection under acidic conditions, facilitating further functionalization. The cyano moiety enhances reactivity for subsequent transformations, such as nucleophilic additions or reductions. Its structural features make it valuable for constructing complex nitrogen-containing heterocycles. The compound is typically handled under inert conditions to preserve its integrity. Suitable for use in medicinal chemistry research and fine chemical synthesis.
1-Boc-2-cyano-2-methylpiperidine structure
746658-72-0 structure
Product Name:1-Boc-2-cyano-2-methylpiperidine
CAS No:746658-72-0
MF:C12H20N2O2
MW:224.299403190613
MDL:MFCD19382500
CID:3207169
PubChem ID:11148814
Update Time:2025-11-01

1-Boc-2-cyano-2-methylpiperidine Chemical and Physical Properties

Names and Identifiers

    • 1-PIPERIDINECARBOXYLIC ACID, 2-CYANO-2-METHYL-, 1,1-DIMETHYLETHYL ESTER
    • 1-BOC-2-CYANO-2-METHYLPIPERIDINE
    • tert-Butyl2-cyano-2-methylpiperidine-1-carboxylate
    • AKOS027329772
    • tert-Butyl 2-cyano-2-methylpiperidine-1-carboxylate
    • 746658-72-0
    • SB43387
    • AS-36866
    • MFCD19382500
    • CS-0173013
    • 1-Boc-2-cyano-2-methylpiperidine
    • MDL: MFCD19382500
    • Inchi: 1S/C12H20N2O2/c1-11(2,3)16-10(15)14-8-6-5-7-12(14,4)9-13/h5-8H2,1-4H3
    • InChI Key: GFJGITBGEUGJIU-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)CCCCC1(C#N)C

Computed Properties

  • Exact Mass: 224.152477885Da
  • Monoisotopic Mass: 224.152477885Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 324
  • 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: 2
  • Topological Polar Surface Area: 53.3?2

1-Boc-2-cyano-2-methylpiperidine Security Information

1-Boc-2-cyano-2-methylpiperidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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abcr
AB307056-250 mg
1-Boc-2-cyano-2-methylpiperidine; 97%
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abcr
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Additional information on 1-Boc-2-cyano-2-methylpiperidine

Comprehensive Overview of 1-Boc-2-cyano-2-methylpiperidine (CAS No. 746658-72-0)

1-Boc-2-cyano-2-methylpiperidine (CAS No. 746658-72-0) is a specialized organic compound widely utilized in pharmaceutical research and fine chemical synthesis. This compound belongs to the piperidine derivatives family, a class of nitrogen-containing heterocycles that play a pivotal role in drug discovery and development. The presence of both Boc (tert-butoxycarbonyl) and cyano functional groups makes it a versatile intermediate for constructing complex molecular architectures, particularly in the synthesis of bioactive molecules.

In recent years, the demand for 1-Boc-2-cyano-2-methylpiperidine has surged due to its applications in peptide coupling and medicinal chemistry. Researchers are increasingly focusing on its role in designing enzyme inhibitors and small-molecule therapeutics, aligning with the growing interest in targeted drug delivery systems. The compound’s unique structural features, such as the sterically hindered cyano group, contribute to its stability and reactivity, making it a preferred choice for high-throughput screening and combinatorial chemistry.

From a synthetic perspective, 1-Boc-2-cyano-2-methylpiperidine is often employed in asymmetric synthesis and chiral auxiliary applications. Its compatibility with Grignard reactions and nucleophilic substitutions allows for the efficient introduction of diverse functional groups. This adaptability has positioned it as a key building block in the development of CNS-active compounds, addressing the rising demand for treatments targeting neurological disorders—a hot topic in contemporary pharmaceutical research.

Another notable aspect of 1-Boc-2-cyano-2-methylpiperidine is its relevance in green chemistry initiatives. With sustainability becoming a priority, chemists are exploring its use in catalytic processes and solvent-free reactions, minimizing environmental impact. This aligns with frequent searches on platforms like Google and AI-driven databases for eco-friendly synthetic routes and renewable chemical feedstocks.

Quality control and analytical characterization of 1-Boc-2-cyano-2-methylpiperidine are critical for ensuring its efficacy in research. Advanced techniques such as HPLC, NMR spectroscopy, and mass spectrometry are routinely employed to verify purity and structural integrity. These methodologies resonate with laboratory professionals and academic researchers who frequently search for analytical validation protocols and compound characterization standards.

In summary, 1-Boc-2-cyano-2-methylpiperidine (CAS No. 746658-72-0) is a multifaceted compound bridging the gap between synthetic chemistry and biomedical innovation. Its applications span from drug design to sustainable synthesis, reflecting the evolving priorities of the scientific community. As research continues to uncover its potential, this compound remains a cornerstone in the toolkit of modern chemists and pharmacologists.

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