Cas no 86847-76-9 (2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine)

2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine is a heterocyclic organic compound featuring a pyrrolopyridine core with a tert-butyl substituent at the 2-position. This structure imparts steric hindrance and electronic modulation, making it valuable in pharmaceutical and materials chemistry. The tert-butyl group enhances stability and influences reactivity, while the fused pyrrolopyridine scaffold offers versatility as a building block for bioactive molecules or functional materials. Its rigid framework is conducive to applications in drug discovery, particularly as a kinase inhibitor intermediate or ligand in catalysis. The compound’s well-defined synthetic route and purity make it suitable for research requiring precise molecular control.
2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine structure
86847-76-9 structure
Product Name:2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine
CAS No:86847-76-9
MF:C11H14N2
MW:174.242262363434
CID:1038632
PubChem ID:13154242
Update Time:2025-06-15

2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine
    • 2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
    • DTXSID30522669
    • SCHEMBL13624349
    • AKOS002666413
    • A863027
    • 86847-76-9
    • MDL： MFCD08753919
    • Inchi： 1S/C11H14N2/c1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h4-7,13H,1-3H3
    • InChI Key： YJYCGUBGGPEOOJ-UHFFFAOYSA-N
    • SMILES： N1C2C=CN=CC=2C=C1C(C)(C)C

Computed Properties

  • Exact Mass: 174.11600
  • Monoisotopic Mass: 174.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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: 2.7
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • PSA: 28.68000
  • LogP: 2.86040

2-(tert-Butyl)-1H-pyrrolo[3,2-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-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine Production Method

2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine Suppliers

Amadis Chemical Company Limited
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(CAS:86847-76-9)2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine
Order Number:A863027
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:38
Price ($):436.0

2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine Related Literature

Additional information on 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine

2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine (CAS No. 86847-76-9): A Comprehensive Overview of Its Properties and Applications

The compound 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine (CAS No. 86847-76-9) is a heterocyclic organic molecule that has garnered significant interest in pharmaceutical and materials science research. With its unique pyrrolopyridine core and tert-butyl substituent, this compound exhibits remarkable chemical properties, making it a valuable building block in drug discovery and advanced material synthesis. Researchers are increasingly exploring its potential in medicinal chemistry, particularly for targeting kinase inhibitors and central nervous system (CNS) disorders.

One of the key features of 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine is its structural versatility. The pyrrolopyridine scaffold is known for its ability to mimic purine bases, which is why it is frequently employed in the design of bioactive molecules. The addition of a tert-butyl group enhances the compound's lipophilicity, improving its membrane permeability—a critical factor in drug development. Recent studies have highlighted its role in the synthesis of small-molecule therapeutics, especially in oncology and neurology.

In the context of AI-driven drug discovery, 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine has emerged as a promising candidate for virtual screening and molecular docking studies. Computational chemists leverage its structural motifs to predict binding affinities with various protein targets, accelerating the identification of novel lead compounds. This aligns with the growing trend of integrating machine learning and cheminformatics in modern research workflows.

Beyond pharmaceuticals, this compound finds applications in organic electronics and photovoltaic materials. Its conjugated system and electron-rich nature make it suitable for designing organic semiconductors and light-emitting diodes (OLEDs). As the demand for sustainable energy solutions rises, researchers are investigating its potential in next-generation solar cells and energy storage devices.

The synthesis of 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine typically involves multi-step organic reactions, including cyclization and functional group interconversion. Recent advancements in green chemistry have led to more efficient and environmentally friendly protocols, reducing the use of hazardous reagents. This reflects the broader shift toward sustainable synthesis in the chemical industry.

Analytical characterization of this compound relies on techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and high-performance liquid chromatography (HPLC). These methods ensure high purity and accurate structural confirmation, which are essential for its applications in high-value research and industrial-scale production.

Given its growing relevance, 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine is frequently searched in academic databases and chemical supplier catalogs. Common queries include its synthetic routes, physicochemical properties, and commercial availability. Researchers also seek information on its toxicity profile and regulatory status, emphasizing the need for transparent and accessible data.

In summary, 2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine (CAS No. 86847-76-9) is a multifaceted compound with broad applications in drug discovery, materials science, and green chemistry. Its unique structure and functional properties continue to inspire innovation across multiple disciplines, making it a subject of ongoing scientific exploration.

86847-76-9 (2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine) Related Products

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Amadis Chemical Company Limited
(CAS:86847-76-9)2-(tert-Butyl)-1H-pyrrolo[3,2-c]pyridine
A863027
Purity:99%
Quantity:1g
Price ($):436.0
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