Cas no 154495-67-7 (8-Methyl-2,8-diazaspiro[4.5]decan-3-one)

8-Methyl-2,8-diazaspiro[4.5]decan-3-one is a spirocyclic compound featuring a diazaspiro[4.5]decane core with a methyl substitution at the 8-position and a ketone functionality at the 3-position. This structure imparts unique steric and electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its rigid spirocyclic framework enhances conformational stability, which can improve binding affinity in drug design applications. The compound’s versatility allows for further functionalization, enabling the development of novel bioactive molecules. Its well-defined synthetic route ensures consistent purity and scalability, supporting its use in research and industrial settings.
8-Methyl-2,8-diazaspiro[4.5]decan-3-one structure
154495-67-7 structure
Product Name:8-Methyl-2,8-diazaspiro[4.5]decan-3-one
CAS No:154495-67-7
MF:C9H16N2O
MW:168.236142158508
MDL:MFCD09971232
CID:832118
PubChem ID:10012299
Update Time:2025-05-19

8-Methyl-2,8-diazaspiro[4.5]decan-3-one Chemical and Physical Properties

Names and Identifiers

    • 8-Methyl-2,8-diazaspiro[4.5]decan-3-one
    • AG-E-02440
    • Ambcb4026753
    • CTK4C8280
    • KB-67838
    • MolPort-008-154-352
    • SureCN8008730
    • 2,8-diazaspiro[4.5]decan-3-one, 8-methyl-
    • 8-methyl-2,8-diazaspiro[4.5]decan-3-one(SALTDATA: FREE)
    • SB41559
    • DTXSID40434082
    • EN300-748889
    • 154495-67-7
    • MFCD09971232
    • ALBB-013337
    • SCHEMBL8008730
    • LS-04146
    • AKOS005174140
    • 2,8-Diazaspiro[4.5]decan-3-one,8-methyl-
    • 8-methyl-2,8-diazaspiro[4.5]decan-3-on
    • MDL: MFCD09971232
    • Inchi: 1S/C9H16N2O/c1-11-4-2-9(3-5-11)6-8(12)10-7-9/h2-7H2,1H3,(H,10,12)
    • InChI Key: VPRICBVWISBIQT-UHFFFAOYSA-N
    • SMILES: O=C1CC2(CN1)CCN(C)CC2

Computed Properties

  • Exact Mass: 168.12600
  • Monoisotopic Mass: 168.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • PSA: 32.34000
  • LogP: 0.48500

8-Methyl-2,8-diazaspiro[4.5]decan-3-one Security Information

  • HazardClass:IRRITANT

8-Methyl-2,8-diazaspiro[4.5]decan-3-one Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

8-Methyl-2,8-diazaspiro[4.5]decan-3-one Pricemore >>

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Additional information on 8-Methyl-2,8-diazaspiro[4.5]decan-3-one

Introduction to 8-Methyl-2,8-diazaspiro[4.5]decan-3-one (CAS No. 154495-67-7)

8-Methyl-2,8-diazaspiro[4.5]decan-3-one, with the CAS number 154495-67-7, is a synthetic compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural properties and potential therapeutic applications. This compound belongs to the class of spirocyclic compounds, which are characterized by a central spiro atom connecting two rings. The spirocyclic structure imparts distinct conformational rigidity and chemical stability, making it an attractive scaffold for drug design and development.

The chemical structure of 8-Methyl-2,8-diazaspiro[4.5]decan-3-one consists of a spirocyclic core with a methyl group at the 8-position and a ketone functional group at the 3-position. The presence of these functional groups contributes to its pharmacological properties and reactivity. Recent studies have highlighted the importance of spirocyclic compounds in various therapeutic areas, including central nervous system (CNS) disorders, cancer, and inflammatory diseases.

In the context of medicinal chemistry, 8-Methyl-2,8-diazaspiro[4.5]decan-3-one has been investigated for its potential as a modulator of G protein-coupled receptors (GPCRs). GPCRs are a large family of membrane receptors that play crucial roles in cellular signaling pathways and are implicated in numerous diseases. The ability of this compound to interact with GPCRs makes it a promising candidate for developing novel therapeutic agents.

One of the key areas of research involving 8-Methyl-2,8-diazaspiro[4.5]decan-3-one is its potential as an anxiolytic agent. Anxiety disorders are prevalent mental health conditions that affect millions of people worldwide. Traditional anxiolytics, such as benzodiazepines, have limitations due to their side effects and potential for abuse. Therefore, there is a need for safer and more effective alternatives. Studies have shown that 8-Methyl-2,8-diazaspiro[4.5]decan-3-one exhibits anxiolytic-like effects in animal models without causing significant sedation or cognitive impairment.

Beyond its anxiolytic properties, 8-Methyl-2,8-diazaspiro[4.5]decan-3-one has also been explored for its anti-inflammatory effects. Inflammation is a complex biological response to injury or infection and is involved in many chronic diseases such as arthritis and cardiovascular disease. Research has demonstrated that this compound can inhibit the production of pro-inflammatory cytokines and reduce inflammation in vitro and in vivo models.

The pharmacokinetic properties of 8-Methyl-2,8-diazaspiro[4.5]decan-3-one have been extensively studied to understand its bioavailability, distribution, metabolism, and excretion (ADME). These studies have shown that the compound has favorable pharmacokinetic profiles, including good oral bioavailability and low toxicity. These characteristics make it suitable for further development as a therapeutic agent.

In addition to its therapeutic potential, 8-Methyl-2,8-diazaspiro[4.5]decan-3-one has also been used as a building block in organic synthesis due to its versatile reactivity and ease of functionalization. This makes it a valuable intermediate for synthesizing more complex molecules with diverse biological activities.

The synthesis of 8-Methyl-2,8-diazaspiro[4.5]decan-3-one involves several steps, including the formation of the spirocyclic core through intramolecular cyclization reactions followed by functional group modifications to introduce the desired substituents. Recent advancements in synthetic methods have led to more efficient and scalable routes for producing this compound, facilitating its use in both academic research and industrial applications.

In conclusion, 8-Methyl-2,8-diazaspiro[4.5]decan-3-one (CAS No. 154495-67-7) is a promising compound with diverse applications in medicinal chemistry and organic synthesis. Its unique structural features and favorable pharmacological properties make it an attractive candidate for further research and development as a potential therapeutic agent for various diseases. Ongoing studies continue to explore its full potential and optimize its use in clinical settings.

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