Cas no 202667-44-5 (2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one)

2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one is a bicyclic ketone derivative with a partially hydrogenated indacene core structure. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of complex polycyclic frameworks. Its rigid yet flexible scaffold allows for functionalization at multiple positions, making it valuable for pharmaceutical and materials chemistry applications. The methyl substitution at the 2-position enhances stability while maintaining reactivity for further derivatization. The ketone functionality provides a handle for selective transformations, such as reductions or nucleophilic additions. Its balanced lipophilicity and moderate polarity facilitate purification and handling. The compound's well-defined stereochemistry and conformational constraints make it useful for designing structurally precise molecules.
2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one structure
202667-44-5 structure
Product Name:2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one
CAS No:202667-44-5
MF:C13H14O
MW:186.249663829803
CID:830097
PubChem ID:10954259
Update Time:2025-06-09

2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one
    • 2-METHYL-2, 3, 6, 7-TETRAHYDROS-INDACEN-1(5H)-ONE
    • 2-methyl-3,5,6,7-tetrahydro-2H-s-indacen-1-one
    • 2-methyl-3,5,6,7-tetrahydro-s-indacen-1(2H)-one
    • 5,6-cyclopenta-2-methylindan-1-one
    • DTXSID50449602
    • MFCD11850102
    • SCHEMBL410953
    • 2-Methyl-indacen-1-on
    • AKOS016007141
    • 2-Methyl-2,3,6,7-tetrahydros-indacen-1(5H)-one
    • HUGFGAJICGDGBY-UHFFFAOYSA-N
    • s-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-2-methyl-
    • 202667-44-5
    • DB-240776
    • DB-330453
    • 3,5,6,7-Tetrahydro-2-methyl-s-indacene-1-one
    • MDL: MFCD11850102
    • Inchi: 1S/C13H14O/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)13(8)14/h6-8H,2-5H2,1H3
    • InChI Key: HUGFGAJICGDGBY-UHFFFAOYSA-N
    • SMILES: O=C1C2C=C3CCCC3=CC=2CC1C

Computed Properties

  • Exact Mass: 186.10400
  • Monoisotopic Mass: 186.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 258
  • 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: 3.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.134
  • Boiling Point: 329 oC
  • Flash Point: 143 oC
  • PSA: 17.07000
  • LogP: 2.55020

2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one Pricemore >>

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2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:202667-44-5)2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one
Order Number:A814368
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:07
Price ($):450.0

Additional information on 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one

Introduction to 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one (CAS No. 202667-44-5)

2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one, with the CAS number 202667-44-5, is a unique compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry. This compound belongs to the class of indenones and is characterized by its complex molecular structure and potential biological activities. The interest in this compound stems from its diverse applications in pharmaceutical research and development, particularly in the discovery of new therapeutic agents.

The molecular formula of 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one is C13H14O, and its molecular weight is approximately 190.25 g/mol. The compound features a fused ring system with a ketone functional group, which contributes to its chemical reactivity and biological properties. The presence of the methyl group at the 2-position further influences its physical and chemical characteristics.

In recent years, extensive research has been conducted to explore the potential therapeutic applications of 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one. One of the key areas of interest is its anti-inflammatory properties. Studies have shown that this compound can effectively inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6 in vitro. This makes it a promising candidate for the development of new anti-inflammatory drugs.

Beyond its anti-inflammatory effects, 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one has also been investigated for its potential neuroprotective properties. Research conducted on animal models has demonstrated that this compound can reduce neuronal damage and improve cognitive function in conditions such as Alzheimer's disease and Parkinson's disease. The mechanism behind these effects is thought to involve the modulation of oxidative stress and the inhibition of neuroinflammatory pathways.

The pharmacokinetic properties of 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one have also been studied to assess its suitability for drug development. Initial findings suggest that it has favorable oral bioavailability and a reasonable half-life, making it a viable candidate for further preclinical and clinical evaluation. Additionally, preliminary toxicity studies have indicated that this compound exhibits low toxicity at therapeutic doses, which is a crucial factor for its potential use in pharmaceutical formulations.

In the context of drug discovery and development, 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one has shown promise as a lead compound for the synthesis of more potent analogs. Chemists have explored various structural modifications to enhance its biological activity and improve its pharmacological profile. For instance, the introduction of additional functional groups or changes in the ring structure can significantly alter the compound's binding affinity to specific receptors or enzymes.

The synthetic routes for producing 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one have been well-documented in the literature. One common method involves the cyclization of an appropriate precursor followed by oxidation to form the ketone group. These synthetic strategies are crucial for ensuring a consistent supply of high-purity material for research purposes.

In conclusion, 2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one (CAS No. 202667-44-5) is a multifaceted compound with significant potential in various areas of medicinal chemistry. Its anti-inflammatory and neuroprotective properties make it an attractive target for drug development. Ongoing research continues to uncover new insights into its mechanisms of action and potential therapeutic applications. As more studies are conducted and clinical trials are initiated, this compound may play a pivotal role in advancing treatments for inflammatory diseases and neurological disorders.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:202667-44-5)2-Methyl-2,3,6,7-tetrahydro-s-indacen-1(5H)-one
A814368
Purity:99%
Quantity:1g
Price ($):450.0
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