Cas no 467451-63-4 (3-Formyl-1H-indole-7-carbonitrile)

3-Formyl-1H-indole-7-carbonitrile is a versatile heterocyclic compound featuring both formyl and cyano functional groups on an indole scaffold. Its structural properties make it a valuable intermediate in organic synthesis, particularly for constructing pharmacologically active molecules and functionalized indole derivatives. The presence of the formyl group allows for further derivatization via condensation or nucleophilic addition reactions, while the electron-withdrawing cyano group enhances reactivity in cross-coupling and cyclization processes. This compound is particularly useful in medicinal chemistry for the development of indole-based inhibitors and bioactive agents. Its high purity and well-defined reactivity profile ensure consistent performance in research and industrial applications.
3-Formyl-1H-indole-7-carbonitrile structure
467451-63-4 structure
Product Name:3-Formyl-1H-indole-7-carbonitrile
CAS No:467451-63-4
MF:C10H6N2O
MW:170.16744184494
MDL:MFCD11110373
CID:1025356
PubChem ID:21071533
Update Time:2025-11-02

3-Formyl-1H-indole-7-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Formyl-1H-indole-7-carbonitrile
    • AG-L-23358
    • AK-88598
    • ANW-45741
    • BD227450
    • CTK4I9557
    • KB-236218
    • RP07330
    • 1H-Indole-7-carbonitrile, 3-formyl-
    • 7-Cyanoindole-3-carbaldehyde
    • 7-Cyanoindole-3-carboxaldehyde
    • WFXZKENGRJYLOG-UHFFFAOYSA-N
    • FCH889010
    • OR301284
    • AB0025019
    • AX8227450
    • W6402
    • ST24022896
    • BB 0262255
    • 1H-Indole-7-carbonitrile,3-formyl-1-methyl-
    • F46634
    • J-5
    • AKOS006306143
    • CS-0054249
    • EN300-3066551
    • AS-61219
    • 467451-63-4
    • A7246
    • A1-22578
    • AMY24420
    • J-512566
    • F15908
    • DTXSID10610497
    • SCHEMBL1420660
    • MFCD11110373
    • DB-070753
    • Z1198313673
    • MDL: MFCD11110373
    • Inchi: 1S/C10H6N2O/c11-4-7-2-1-3-9-8(6-13)5-12-10(7)9/h1-3,5-6,12H
    • InChI Key: WFXZKENGRJYLOG-UHFFFAOYSA-N
    • SMILES: O=CC1=CNC2C(C#N)=CC=CC=21

Computed Properties

  • Exact Mass: 170.048012819g/mol
  • Monoisotopic Mass: 170.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 255
  • 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
  • Topological Polar Surface Area: 56.6
  • XLogP3: 1.2

3-Formyl-1H-indole-7-carbonitrile Security Information

  • HazardClass:IRRITANT

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Additional information on 3-Formyl-1H-indole-7-carbonitrile

3-Formyl-1H-indole-7-carbonitrile (CAS 467451-63-4): A Versatile Building Block in Organic Synthesis and Pharmaceutical Research

3-Formyl-1H-indole-7-carbonitrile (CAS 467451-63-4) is a highly valuable heterocyclic compound that has gained significant attention in recent years due to its unique structural features and broad applications in medicinal chemistry and material science. This indole derivative combines two important functional groups - a formyl group at the 3-position and a cyano group at the 7-position - making it an exceptionally versatile intermediate for various synthetic transformations.

The growing interest in indole-based compounds stems from their prevalence in natural products and pharmaceuticals. Recent searches in scientific databases and AI-powered research tools reveal increasing queries about "novel indole derivatives for drug discovery" and "functionalized indole synthesis methods," highlighting the relevance of compounds like 3-Formyl-1H-indole-7-carbonitrile in contemporary research. Its molecular structure, featuring both electron-withdrawing (cyano) and electron-donating (formyl) groups, creates interesting electronic properties that researchers are exploring for various applications.

From a synthetic chemistry perspective, 3-Formyl-1H-indole-7-carbonitrile serves as a crucial precursor for constructing more complex molecular architectures. The formyl group readily participates in condensation reactions, while the cyano group can be transformed into various other functionalities, including carboxylic acids, amides, and heterocyclic systems. This dual functionality makes it particularly valuable in parallel synthesis and combinatorial chemistry approaches that are currently trending in pharmaceutical research.

In pharmaceutical applications, the indole scaffold is recognized as a privileged structure in drug design, appearing in numerous FDA-approved drugs. The specific substitution pattern of 3-Formyl-1H-indole-7-carbonitrile offers unique opportunities for developing novel therapeutic agents. Recent studies have explored its derivatives as potential kinase inhibitors, antimicrobial agents, and anti-inflammatory compounds, addressing some of the most pressing healthcare challenges today, including antibiotic resistance and chronic inflammatory diseases.

The compound's physicochemical properties contribute to its utility in drug discovery. With a molecular weight of 170.16 g/mol and balanced lipophilicity, 3-Formyl-1H-indole-7-carbonitrile and its derivatives often exhibit favorable drug-like properties. Researchers frequently search for "bioactive indole-carbonitrile compounds" and "SAR studies of formyl-indole derivatives," indicating strong interest in structure-activity relationships involving this molecular framework.

Beyond pharmaceuticals, 3-Formyl-1H-indole-7-carbonitrile finds applications in material science, particularly in the development of organic electronic materials. The conjugated π-system of the indole core, combined with its functional groups, makes it suitable for creating novel organic semiconductors and luminescent materials. This aligns with current trends in sustainable electronics and green chemistry, topics that are increasingly popular in scientific literature and patent applications.

The synthesis of 3-Formyl-1H-indole-7-carbonitrile typically involves formylation of appropriately substituted indole precursors or cyanation of formyl-indole derivatives. Recent advances in catalytic methods and green chemistry approaches have improved the efficiency of these transformations, addressing the growing demand for environmentally friendly synthetic protocols. Search terms like "green synthesis of functionalized indoles" and "catalytic indole formylation" reflect this shift in research priorities.

Quality control and characterization of 3-Formyl-1H-indole-7-carbonitrile are crucial for its applications. Modern analytical techniques including HPLC, NMR spectroscopy, and mass spectrometry ensure the compound's purity and identity. The distinctive 1H NMR signals of the formyl proton (typically around 10 ppm) and the characteristic IR absorption of the nitrile group (around 2200 cm-1) serve as important diagnostic features for researchers working with this compound.

From a commercial perspective, 3-Formyl-1H-indole-7-carbonitrile is available from several specialty chemical suppliers, with current market trends showing increasing demand for high-purity samples suitable for pharmaceutical research. The global market for indole derivatives is projected to grow significantly, driven by their expanding applications in drug discovery and material science, making compounds like 3-Formyl-1H-indole-7-carbonitrile strategically important intermediates.

Future research directions for 3-Formyl-1H-indole-7-carbonitrile include exploring its use in multicomponent reactions, developing novel catalytic systems for its functionalization, and investigating its biological activities more comprehensively. The compound's versatility ensures it will remain relevant in addressing emerging scientific challenges, particularly in areas like targeted drug delivery and smart materials development.

In conclusion, 3-Formyl-1H-indole-7-carbonitrile (CAS 467451-63-4) represents a fascinating example of how carefully designed molecular structures can serve multiple purposes across different scientific disciplines. Its combination of synthetic accessibility, structural features, and potential applications makes it a compound of continuing interest to researchers in academia and industry alike, particularly in the context of current trends toward more sustainable and efficient chemical processes.

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