Cas no 1242336-75-9 (2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one)

2-Methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one is a bicyclic heterocyclic compound featuring a fused pyrrolidine and piperidine framework with a ketone functional group. This structure imparts significant versatility in synthetic chemistry, particularly as a key intermediate in the preparation of pharmacologically active molecules. Its rigid, saturated ring system enhances stereochemical control in reactions, while the presence of both nitrogen and carbonyl functionalities allows for diverse derivatization. The compound is valued for its stability and compatibility with a range of reaction conditions, making it suitable for applications in medicinal chemistry and drug discovery. Its well-defined stereochemistry further supports its use in enantioselective synthesis.
2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one structure
1242336-75-9 structure
Product Name:2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one
CAS No:1242336-75-9
MF:C8H14N2O
MW:154.209561824799
MDL:MFCD24506310
CID:1220036
PubChem ID:86811204
Update Time:2025-09-28

2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one Chemical and Physical Properties

Names and Identifiers

    • (3ar,7ar)-2-methyl-3a,4,5,6,7,7a-hexahydro-1h-pyrrolo[3,4-c]pyridin-3-one
    • 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one
    • AS-79504
    • MFCD24506310
    • 1242336-75-9
    • SB20007
    • SB10539
    • 2-methyl-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one
    • CS-0443296
    • 2-Methylhexahydro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
    • P20801
    • (3AR,7AR)-2-METHYL-OCTAHYDRO-3H-PYRROLO[3,4-C]PYRIDIN-3-ONE
    • PB18223
    • Octahydro-2-methyl-3H-pyrrolo[3,4-c]pyridin-3-one
    • DTXSID101233017
    • SY323034
    • 2-Methyloctahydro-3H-pyrrolo[3,4-c]pyridin-3-one
    • (3aR,7aR)-2-methyl-octahydro-1H-pyrrolo[3,4-c]pyridin-3-one
    • MDL: MFCD24506310
    • Inchi: 1S/C8H14N2O/c1-10-5-6-2-3-9-4-7(6)8(10)11/h6-7,9H,2-5H2,1H3
    • InChI Key: BVBFTJUIOLVKRS-UHFFFAOYSA-N
    • SMILES: O=C1C2CNCCC2CN1C

Computed Properties

  • Exact Mass: 154.110613074g/mol
  • Monoisotopic Mass: 154.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 32.3?2

2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one Pricemore >>

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Additional information on 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one

Exploring the Chemistry and Applications of 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one (CAS No. 1242336-75-9)

The compound 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one (CAS No. 1242336-75-9) is a fascinating heterocyclic molecule that has garnered significant attention in the field of medicinal chemistry and drug discovery. Its unique structure, featuring a pyrrolopyridine core with a methyl substituent, makes it a valuable scaffold for the development of novel therapeutic agents. Researchers are particularly interested in its potential as a bioactive intermediate due to its ability to interact with various biological targets.

In recent years, the demand for heterocyclic compounds like 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one has surged, driven by their versatility in pharmaceutical synthesis. This compound's CAS No. 1242336-75-9 is frequently searched in academic and industrial databases, reflecting its growing importance. Its applications span across central nervous system (CNS) drug development, enzyme inhibition, and receptor modulation, making it a hot topic in drug design circles.

One of the key reasons for the popularity of 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one is its role in addressing neurodegenerative diseases. With the rise in global interest in conditions like Alzheimer's and Parkinson's, researchers are exploring its potential as a neuroprotective agent. The compound's ability to cross the blood-brain barrier and its low toxicity profile are particularly appealing for such applications.

Another area of interest is the compound's utility in catalysis and material science. Its pyrrolopyridine framework can serve as a ligand in metal-organic frameworks (MOFs), which are widely used in gas storage and separation technologies. This dual applicability in both life sciences and industrial chemistry underscores its versatility.

From a synthetic perspective, 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one offers several advantages. Its modular synthesis allows for easy derivatization, enabling the creation of a diverse library of analogs. This is particularly valuable in high-throughput screening campaigns, where rapid access to structurally varied compounds is essential. The CAS No. 1242336-75-9 is often associated with patented synthetic routes, highlighting its commercial significance.

Environmental considerations are also driving research into this compound. As the chemical industry moves towards green chemistry principles, 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one is being evaluated for its biodegradability and sustainable production methods. This aligns with the growing consumer demand for eco-friendly pharmaceuticals and industrial chemicals.

In conclusion, 2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one (CAS No. 1242336-75-9) represents a multifaceted compound with broad applications in drug discovery, material science, and green chemistry. Its unique pyrrolopyridine structure and bioactive properties make it a subject of ongoing research and development. As scientific advancements continue, this compound is likely to play an increasingly important role in addressing some of the most pressing challenges in healthcare and sustainable technology.

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