Cas no 60026-28-0 (3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal)

3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal is a heterocyclic compound featuring a fused pyrrolo-oxazine core with a benzyl substituent at the 4-position and a formylmethyl group at the 6-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both carbonyl and formyl groups enhances its utility in condensation and cyclization reactions. Its stability under standard conditions ensures ease of handling, while its defined stereochemistry allows for precise synthetic applications. This compound is particularly useful in constructing complex nitrogen-containing heterocycles.
3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal structure
60026-28-0 structure
Product Name:3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal
CAS No:60026-28-0
MF:C15H13NO3
MW:255.268624067307
CID:499476
PubChem ID:88847447
Update Time:2025-05-22

3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,1-c][1,4]oxazine-6-carboxaldehyde,3,4-dihydro-3-oxo-4-(phenylmethyl)-
    • 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal
    • AKOS040763623
    • FS-8379
    • 60026-28-0
    • SCHEMBL11880057
    • Inchi: 1S/C15H13NO3/c17-9-12-6-7-13-10-19-15(18)14(16(12)13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2
    • InChI Key: UMCJKAAHDXLKRZ-UHFFFAOYSA-N
    • SMILES: O=CC1N2C(COC(C2CC2C=CC=CC=2)=O)=CC=1

Computed Properties

  • Exact Mass: 255.08959
  • Monoisotopic Mass: 255.08954328 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 351
  • 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: 2.1
  • Topological Polar Surface Area: 48.3
  • Molecular Weight: 255.27

Experimental Properties

  • PSA: 48.3

3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal Pricemore >>

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CFN95293-5mg
3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal
60026-28-0 >=98%
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$413 2023-09-19
SHANG HAI TAO SHU Biotechnology Co., Ltd.
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3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal Related Literature

Additional information on 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo [2,1-c] oxazine-6-methylal

Comprehensive Overview of 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal (CAS No. 60026-28-0)

The compound 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal (CAS No. 60026-28-0) is a specialized heterocyclic molecule that has garnered significant attention in pharmaceutical and organic chemistry research. Its unique structure, featuring a pyrrolo-oxazine core, makes it a valuable intermediate in the synthesis of bioactive compounds. Researchers are particularly interested in its potential applications in drug discovery, owing to its ability to modulate biological pathways. The presence of a benzyl group and a methylal moiety further enhances its reactivity, enabling diverse chemical transformations.

In recent years, the demand for novel heterocyclic compounds like 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal has surged, driven by advancements in medicinal chemistry and the need for targeted therapies. This compound is often explored for its role in developing enzyme inhibitors and receptor modulators, which are critical in treating various diseases. Its CAS No. 60026-28-0 is frequently searched in scientific databases, reflecting its relevance in academic and industrial settings. Additionally, its structural complexity aligns with the growing trend of designing multifunctional scaffolds for high-throughput screening.

The synthesis of 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal involves multi-step organic reactions, often starting from readily available precursors. Key steps include cyclization and functional group interconversion, which are optimized to achieve high yields and purity. Researchers emphasize the importance of stereoselective synthesis to control the configuration of chiral centers, a topic of great interest in modern organic synthesis. The compound’s physicochemical properties, such as solubility and stability, are also extensively studied to ensure its suitability for further applications.

From an industrial perspective, CAS No. 60026-28-0 is a candidate for scale-up production, given its potential in pharmaceutical intermediates. Companies specializing in fine chemicals and custom synthesis often list this compound in their catalogs, catering to the needs of drug developers. Its compatibility with green chemistry principles is another area of exploration, as sustainability becomes a priority in chemical manufacturing. Questions like “How to synthesize 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal efficiently?” or “What are its biological targets?” are commonly encountered in search queries, highlighting the compound’s significance.

In conclusion, 3-Oxo-4-benzyl-3,4-dihydro-1H-pyrrolo[2,1-c]oxazine-6-methylal (CAS No. 60026-28-0) represents a promising avenue for research and development in organic and medicinal chemistry. Its versatile structure and potential applications align with current trends in drug discovery and materials science. As the scientific community continues to uncover its properties and utilities, this compound is poised to play a pivotal role in future innovations.

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