Cas no 335032-69-4 (1,5-Dimethyl-1H-indole-3-carbaldehyde)

1,5-Dimethyl-1H-indole-3-carbaldehyde is a substituted indole derivative characterized by the presence of a formyl group at the 3-position and methyl groups at the 1- and 5-positions of the indole ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceutical agents. Its structural features, including the reactive aldehyde functionality, enable its use in condensation, cyclization, and functionalization reactions. The methyl substitutions enhance stability and influence electronic properties, making it valuable for tailored synthetic applications. The compound is typically handled under standard laboratory conditions and requires storage in a cool, dry environment to maintain purity.
1,5-Dimethyl-1H-indole-3-carbaldehyde structure
335032-69-4 structure
Product Name:1,5-Dimethyl-1H-indole-3-carbaldehyde
CAS No:335032-69-4
MF:C11H11NO
MW:173.211142778397
MDL:MFCD06016158
CID:1073744
PubChem ID:1419073
Update Time:2025-10-24

1,5-Dimethyl-1H-indole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1,5-Dimethyl-1H-indole-3-carbaldehyde
    • 1,5-dimethyl-1H-indole-3-carbaldehyde(SALTDATA: FREE)
    • 1H-Indole-3-carboxaldehyde,1,5-dimethyl-
    • 1H-Indole-3-carbaldehyde, 1,5-dimethyl-
    • 1,5-dimethylindole-3-carbaldehyde
    • SCHEMBL2275437
    • MFCD06016158
    • AKOS004119615
    • DTXSID70362889
    • STK501560
    • ALBB-005044
    • LS-01890
    • F78612
    • CS-0313570
    • 335032-69-4
    • BDHIBJIGOOTZMS-UHFFFAOYSA-N
    • MDL: MFCD06016158
    • Inchi: 1S/C11H11NO/c1-8-3-4-11-10(5-8)9(7-13)6-12(11)2/h3-7H,1-2H3
    • InChI Key: BDHIBJIGOOTZMS-UHFFFAOYSA-N
    • SMILES: O=CC1=CN(C)C2C=CC(C)=CC=21

Computed Properties

  • Exact Mass: 173.08413
  • Monoisotopic Mass: 173.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 204
  • 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: 1.8
  • Topological Polar Surface Area: 22?2

Experimental Properties

  • Density: 1.09
  • Boiling Point: 336.4°C at 760 mmHg
  • Flash Point: 157.3°C
  • Refractive Index: 1.575
  • PSA: 22
  • LogP: 2.29920

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Additional information on 1,5-Dimethyl-1H-indole-3-carbaldehyde

Comprehensive Overview of 1,5-Dimethyl-1H-indole-3-carbaldehyde (CAS No. 335032-69-4): Properties, Applications, and Industry Insights

1,5-Dimethyl-1H-indole-3-carbaldehyde (CAS No. 335032-69-4) is a specialized organic compound belonging to the indole derivatives family, which has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its aldehyde functional group and methyl substitutions at the 1 and 5 positions of the indole ring, serves as a versatile intermediate in synthetic chemistry. Its molecular structure (C11H11NO) and unique reactivity make it valuable for designing bioactive molecules, particularly in drug discovery and material science.

Recent trends in AI-driven drug discovery and green chemistry have amplified interest in 1,5-Dimethyl-1H-indole-3-carbaldehyde. Researchers frequently search for "indole aldehyde synthesis," "CAS 335032-69-4 applications," or "methylindole derivatives in medicine," reflecting its relevance in cutting-edge science. The compound's role in constructing heterocyclic scaffolds—a hotspot in cancer therapeutics and antiviral agents—further underscores its industrial importance. Notably, its compatibility with microwave-assisted reactions and catalysis aligns with the demand for sustainable synthetic methods.

From a technical perspective, 1,5-Dimethyl-1H-indole-3-carbaldehyde exhibits a melting point range of 120–125°C and a molecular weight of 173.21 g/mol. Its UV-Vis absorption properties (λmax ~300 nm) make it suitable for photochemical studies. Analytical techniques like HPLC, NMR, and mass spectrometry are commonly employed for purity verification, addressing frequent queries such as "how to analyze indole aldehydes." The compound's stability under inert atmospheres and sensitivity to strong oxidizers are critical handling considerations.

In the pharmaceutical sector, 1,5-Dimethyl-1H-indole-3-carbaldehyde is explored for modulating enzyme inhibitors and receptor ligands. Its structural motif appears in studies targeting neurodegenerative diseases and metabolic disorders, topics trending in biomedical research. Agrochemically, derivatives of this compound show promise as plant growth regulators, resonating with searches for "eco-friendly agrochemicals." Patent databases reveal its use in OLED materials, linking it to the booming flexible electronics market.

To optimize SEO visibility, this content integrates high-traffic keywords like "buy 335032-69-4," "indole-3-carbaldehyde price," and "custom synthesis of methylindoles." The compound's supply chain dynamics are also discussed, addressing concerns about scalability and regulatory compliance—key factors for B2B buyers. Collaborative efforts between academia and manufacturers are driving innovations in cost-effective production, a frequently searched topic in specialty chemicals forums.

Future prospects for 1,5-Dimethyl-1H-indole-3-carbaldehyde include its potential in bioconjugation techniques and nanomaterial functionalization. As industries prioritize molecular diversity, this compound's adaptability positions it as a critical tool for high-throughput screening. Environmental considerations, such as biodegradability assessments of its derivatives, are emerging as new research frontiers, aligning with global ESG (Environmental, Social, Governance) trends.

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