Cas no 90977-69-8 (3-methyl-1-Azaspiro[4.5]decan-2-one)

3-Methyl-1-azaspiro[4.5]decan-2-one is a spirocyclic lactam compound featuring a unique structural motif combining a pyrrolidine ring and a cyclohexane ring bridged by a spiro carbon. This scaffold is of significant interest in medicinal chemistry due to its conformational rigidity, which enhances binding selectivity and metabolic stability in drug design. The methyl substitution at the 3-position further modulates steric and electronic properties, making it a versatile intermediate for synthesizing bioactive molecules. Its spirocyclic framework is particularly valuable in the development of CNS-targeting compounds and enzyme inhibitors. The compound’s well-defined stereochemistry and synthetic accessibility also facilitate structure-activity relationship studies.
3-methyl-1-Azaspiro[4.5]decan-2-one structure
90977-69-8 structure
Product Name:3-methyl-1-Azaspiro[4.5]decan-2-one
CAS No:90977-69-8
MF:C10H17NO
MW:167.248082876205
CID:1121153
PubChem ID:10442068
Update Time:2025-11-02

3-methyl-1-Azaspiro[4.5]decan-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-1-Azaspiro[4.5]decan-2-one
    • 90977-69-8
    • EN300-790779
    • Inchi: 1S/C10H17NO/c1-8-7-10(11-9(8)12)5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
    • InChI Key: DDBWHYRRMSLFAX-UHFFFAOYSA-N
    • SMILES: O=C1C(C)CC2(CCCCC2)N1

Computed Properties

  • Exact Mass: 167.131014166g/mol
  • Monoisotopic Mass: 167.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 194
  • 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: 1.8
  • Topological Polar Surface Area: 29.1?2

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Additional information on 3-methyl-1-Azaspiro[4.5]decan-2-one

3-Methyl-1-Azaspiro[4.5]decan-2-one (CAS No. 90977-69-8): A Comprehensive Overview

3-Methyl-1-Azaspiro[4.5]decan-2-one (CAS No. 90977-69-8) is a unique heterocyclic compound that has garnered significant attention in the pharmaceutical and chemical research communities. Its distinctive spirocyclic structure and aza-functional group make it a valuable intermediate in the synthesis of various bioactive molecules. This article delves into the properties, applications, and market trends of this compound, while also addressing common queries and emerging trends in the field.

The molecular formula of 3-Methyl-1-Azaspiro[4.5]decan-2-one is C10H17NO, with a molecular weight of 167.25 g/mol. The compound features a spiro[4.5]decane backbone, which is a fused bicyclic system, and an aza (nitrogen) atom incorporated into the ring structure. This configuration imparts unique stereochemical properties and reactivity, making it a versatile building block in organic synthesis.

One of the most notable applications of 3-Methyl-1-Azaspiro[4.5]decan-2-one is its role as a pharmaceutical intermediate. Researchers have explored its potential in the development of central nervous system (CNS) drugs, particularly those targeting neurological disorders such as Alzheimer's disease and Parkinson's disease. The compound's spirocyclic framework is often associated with enhanced blood-brain barrier permeability, a critical factor in CNS drug design.

In addition to its pharmaceutical applications, 3-Methyl-1-Azaspiro[4.5]decan-2-one is also utilized in the synthesis of agrochemicals and flavor and fragrance compounds. Its rigid spiro structure can contribute to the stability and efficacy of these products, making it a sought-after intermediate in these industries.

The synthetic routes to 3-Methyl-1-Azaspiro[4.5]decan-2-one vary, but common methods involve cyclization reactions of appropriately substituted precursors. For instance, the intramolecular cyclization of amino ketones or the reductive amination of spirocyclic ketones can yield the desired product. Researchers are continually optimizing these processes to improve yield and purity, addressing the growing demand for high-quality intermediates.

Market trends indicate a rising interest in spirocyclic compounds like 3-Methyl-1-Azaspiro[4.5]decan-2-one, driven by their expanding applications in drug discovery and material science. The global pharmaceutical intermediates market is projected to grow significantly, with spirocyclic frameworks playing a pivotal role. This compound, in particular, is gaining traction due to its structural novelty and functional versatility.

From an SEO perspective, users frequently search for terms such as "spirocyclic compounds in drug discovery," "3-Methyl-1-Azaspiro[4.5]decan-2-one synthesis," and "CAS 90977-69-8 applications." These queries reflect the compound's relevance in current research and industrial applications. By addressing these topics, this article aims to provide valuable insights while optimizing for search engine visibility.

Safety and handling of 3-Methyl-1-Azaspiro[4.5]decan-2-one are also critical considerations. While the compound is not classified as hazardous under standard regulations, proper laboratory practices should always be followed. This includes the use of personal protective equipment (PPE) and adherence to chemical handling guidelines to ensure safe usage.

In conclusion, 3-Methyl-1-Azaspiro[4.5]decan-2-one (CAS No. 90977-69-8) is a compound of significant interest due to its unique structure and diverse applications. Its role in pharmaceuticals, agrochemicals, and flavor and fragrance industries underscores its importance in modern chemistry. As research continues to uncover new uses for this compound, its market potential is expected to grow, making it a key player in the field of specialty chemicals.

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