Cas no 351370-98-4 (2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine)

2-Benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine is a bicyclic amine derivative featuring a fused pyrrolidine-pyridine core with a benzyl substituent. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and bioactive molecules. Its rigid, polycyclic structure enhances stereochemical control in reactions, making it valuable for constructing complex heterocycles. The benzyl group offers a handle for further functionalization, enabling tailored modifications for specific applications. The saturated ring system contributes to improved stability and solubility in various solvents, facilitating its use in diverse synthetic pathways. Its potential as a scaffold for medicinal chemistry is underscored by its compatibility with a range of catalytic and stoichiometric transformations.
2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine structure
351370-98-4 structure
Product Name:2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine
CAS No:351370-98-4
MF:C14H20N2
MW:216.322003364563
MDL:MFCD06858492
CID:302898
PubChem ID:21978986
Update Time:2025-05-19

2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine
    • 1H-Pyrrolo[3,4-c]pyridine,octahydro-2-(phenylmethyl)-
    • 2-Benzyl-octahydro-pyrrolo(3,4-c)pyridine
    • 2-BENZYL-OCTAHYDRO-PYRROLO[3,4-C]PYRIDINE
    • 2-benzyloctahydro-1H-pyrrolo[3.4-c]pyridine
    • 2-Benzyl-octahydro-pyrrol-3,4-cpyridine
    • 2-Benzyloctahydropyrrolo[3,4-c]pyridine
    • 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine
    • MFCD06858492
    • CS-0320252
    • AS-0787
    • FT-0750409
    • SCHEMBL928351
    • 1H-Pyrrolo[3,4-c]pyridine, octahydro-2-(phenylmethyl)-
    • 2-benzyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
    • A6168
    • AKOS015901156
    • 351370-98-4
    • VZMAYQMDXZLZFZ-UHFFFAOYSA-N
    • SB36777
    • AC-29476
    • DTXSID10956584
    • AM807488
    • 2-Benzyl-octahydropyrrolo[3,4-c]pyridine
    • DB-027815
    • MDL: MFCD06858492
    • Inchi: 1S/C14H20N2/c1-2-4-12(5-3-1)9-16-10-13-6-7-15-8-14(13)11-16/h1-5,13-15H,6-11H2
    • InChI Key: VZMAYQMDXZLZFZ-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CC2CNCCC2C1

Computed Properties

  • Exact Mass: 216.16300
  • Monoisotopic Mass: 216.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 223
  • 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
  • Topological Polar Surface Area: 15.3A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.049
  • Boiling Point: 317.7°Cat760mmHg
  • Flash Point: 127.3°C
  • Refractive Index: 1.558
  • PSA: 15.27000
  • LogP: 1.99460

2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine 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%

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2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine Suppliers

Amadis Chemical Company Limited
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(CAS:351370-98-4)2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine
Order Number:A6168
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):3444.0

Additional information on 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine

Introduction to 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine (CAS No. 351370-98-4)

2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine, identified by the Chemical Abstracts Service Number (CAS No.) 351370-98-4, is a structurally complex organic compound belonging to the class of heterocyclic amines. This compound has garnered significant attention in the field of pharmaceutical chemistry due to its unique structural framework and potential biological activities. The presence of both a benzyl group and an octahydro-1H-pyrrolo[3,4-c]pyridine core suggests a high degree of molecular complexity, which may contribute to its pharmacological properties.

The octahydro-1H-pyrrolo[3,4-c]pyridine scaffold is a fused ring system consisting of a pyrrole ring connected to a piperidine ring, both of which are saturated. This type of structure is commonly found in various bioactive molecules and has been extensively studied for its potential applications in drug discovery. The benzyl group attached to the pyrrolopyridine system introduces additional functionalization possibilities, enabling modifications that could fine-tune the compound's biological profile.

In recent years, there has been growing interest in developing novel heterocyclic compounds for therapeutic applications. The 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine scaffold has emerged as a promising candidate due to its ability to interact with biological targets in unique ways. Studies have shown that derivatives of this compound can exhibit properties such as receptor binding affinity and enzyme inhibition, making it a valuable scaffold for medicinal chemists.

One of the most compelling aspects of 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine is its potential as a lead compound for drug development. Researchers have been exploring its interactions with various biological targets, including G-protein coupled receptors (GPCRs) and ion channels. The benzyl group provides a handle for further chemical modifications, allowing scientists to optimize the compound's pharmacokinetic and pharmacodynamic properties. This flexibility makes it an attractive candidate for structure-activity relationship (SAR) studies.

The synthesis of 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include cyclization reactions followed by functional group transformations to introduce the benzyl moiety. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it feasible to explore its biological potential in preclinical studies.

Recent research has highlighted the biological activity of 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine and its derivatives. For instance, studies have demonstrated that certain analogs of this compound exhibit inhibitory effects on specific enzymes implicated in neurological disorders. The precise binding interactions between these compounds and their targets are being elucidated through computational modeling and experimental techniques such as X-ray crystallography. These insights are crucial for understanding the mechanisms of action and for designing more effective therapeutic agents.

The potential therapeutic applications of 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine are broad and span multiple disease areas. Initial findings suggest that this compound may have utility in treating conditions such as depression, anxiety disorders, and pain syndromes. The ability to modulate neurotransmitter systems makes it an attractive candidate for central nervous system (CNS) drug development. Additionally, the structural features of this compound may contribute to its potential as an anti-inflammatory agent or an antioxidant.

In conclusion, 2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine (CAS No. 351370-98-4) represents a significant advancement in the field of pharmaceutical chemistry. Its unique structural features and demonstrated biological activity make it a valuable scaffold for drug discovery efforts. As research continues to uncover new applications for this compound and its derivatives, it is likely to play an increasingly important role in the development of novel therapeutics.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:351370-98-4)2-benzyl-octahydro-1H-pyrrolo[3,4-c]pyridine
A6168
Purity:99%
Quantity:10g
Price ($):3444.0
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