Cas no 228271-47-4 (5H,6H,7H,8H,9H-pyrido[3,4-d]azepine)

5H,6H,7H,8H,9H-pyrido[3,4-d]azepine is a heterocyclic compound featuring a fused pyridine-azepine structure, which serves as a versatile intermediate in organic synthesis and medicinal chemistry. Its rigid yet flexible scaffold allows for diverse functionalization, making it valuable for the development of pharmacologically active molecules. The compound's unique ring system contributes to enhanced binding affinity and selectivity in drug design, particularly for targets requiring constrained geometries. Its stability under various reaction conditions further underscores its utility in multi-step synthetic routes. Researchers favor this scaffold for its potential in constructing bioactive compounds, including CNS agents and enzyme inhibitors, due to its balanced lipophilicity and hydrogen-bonding capabilities.
5H,6H,7H,8H,9H-pyrido[3,4-d]azepine structure
228271-47-4 structure
Product Name:5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
CAS No:228271-47-4
MF:C9H12N2
MW:148.204981803894
CID:245099
PubChem ID:10582927
Update Time:2025-05-30

5H,6H,7H,8H,9H-pyrido[3,4-d]azepine Chemical and Physical Properties

Names and Identifiers

    • 5H-Pyrido[3,4-d]azepine,6,7,8,9-tetrahydro-
    • 6,7,8,9-tetrahydro-5H-pyrido[4,3-d]azepine
    • 5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
    • SCHEMBL19200207
    • 6,7,8,9-Tetrahydro-5H-pyrido[3,4-d]azepine
    • 228271-47-4
    • SB21517
    • CHEMBL52133
    • BDBM50143278
    • Inchi: 1S/C9H12N2/c1-4-10-5-3-9-7-11-6-2-8(1)9/h2,6-7,10H,1,3-5H2
    • InChI Key: TYCKRCIGLWSVCK-UHFFFAOYSA-N
    • SMILES: N1CCC2C=NC=CC=2CC1

Computed Properties

  • Exact Mass: 148.100048391g/mol
  • Monoisotopic Mass: 148.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 125
  • 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: 0.7
  • Topological Polar Surface Area: 24.9?2

5H,6H,7H,8H,9H-pyrido[3,4-d]azepine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-100MG
5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
228271-47-4 95%
100MG
¥ 1,683.00 2023-04-05
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-250MG
5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
228271-47-4 95%
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¥ 2,692.00 2023-04-05
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-500MG
5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
228271-47-4 95%
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¥ 4,481.00 2023-04-05
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-1G
5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
228271-47-4 95%
1g
¥ 6,718.00 2023-04-05
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-5G
5H,6H,7H,8H,9H-pyrido[3,4-d]azepine
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¥ 20,156.00 2023-04-05
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-100mg
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¥1681.0 2024-04-22
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBYS1664-100.0mg
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¥1681.0000 2025-04-11

Additional information on 5H,6H,7H,8H,9H-pyrido[3,4-d]azepine

5H,6H,7H,8H,9H-Pyrido[3,4-d]Azepine: A Comprehensive Overview

5H,6H,7H,8H,9H-Pyrido[3,4-d]azepine, also known by its CAS number 228271-47-4, is a heterocyclic compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound belongs to the class of pyridazepines, which are fused bicyclic systems consisting of a pyridine ring and an azepine ring. The unique electronic properties and structural features of pyrido[3,4-d]azepine make it a promising candidate for various applications in optoelectronics and drug discovery.

Recent studies have highlighted the potential of 5H,6H,7H,8H,9H-pyrido[3,4-d]azepine as a building block for constructing advanced materials with tailored electronic properties. Researchers have explored its ability to form self-assembled monolayers (SAMs) and its role in enhancing the performance of organic light-emitting diodes (OLEDs). The compound's conjugated system allows for efficient charge transport and emission characteristics, making it a valuable component in next-generation display technologies.

In addition to its electronic applications, pyrido[3,4-d]azepine has shown promise in the field of medicinal chemistry. Its structural similarity to certain bioactive compounds has led to investigations into its potential as a scaffold for drug development. Recent studies have demonstrated that derivatives of this compound exhibit modulatory effects on key biological targets associated with neurodegenerative diseases and cancer. These findings underscore the importance of further research into the pharmacological properties of this compound.

The synthesis of 5H,6H,7H,8H,9H-pyrido[3,4-d]azepine typically involves multi-step reactions that require precise control over reaction conditions. One common approach involves the cyclization of appropriately substituted precursors under thermal or photochemical conditions. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound. These improvements have facilitated access to a wider range of derivatives for both academic and industrial applications.

From an environmental perspective, the stability and biodegradability of pyrido[3,d]azepine-based materials are critical considerations for their large-scale deployment. Emerging research has focused on evaluating the environmental impact of these compounds and developing strategies to minimize their ecological footprint. This includes exploring recyclable synthesis pathways and assessing their compatibility with sustainable manufacturing practices.

In conclusion, 5H,6H,7H,8H,9H-pyrido[3,4-d]azepine is a versatile compound with a wide range of potential applications across multiple disciplines. Its unique chemical properties and structural features continue to drive innovative research efforts aimed at unlocking its full potential. As advancements in synthetic methods and material characterization techniques continue to evolve,
we can expect even more exciting developments in the utilization of this remarkable compound.

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