Cas no 348-32-3 (Ethyl 4-fluoro-1H-indole-2-carboxylate)

Ethyl 4-fluoro-1H-indole-2-carboxylate is a fluorinated indole derivative with significant utility in pharmaceutical and agrochemical research. The presence of a fluorine atom at the 4-position enhances its reactivity and metabolic stability, making it a valuable intermediate in the synthesis of bioactive compounds. The ethyl ester group at the 2-position offers versatility for further functionalization, enabling its use in coupling reactions and derivatization. This compound is particularly relevant in the development of heterocyclic scaffolds for drug discovery, where its structural features contribute to improved binding affinity and selectivity. High purity and consistent quality ensure reliable performance in synthetic applications.
Ethyl 4-fluoro-1H-indole-2-carboxylate structure
348-32-3 structure
Product Name:Ethyl 4-fluoro-1H-indole-2-carboxylate
CAS No:348-32-3
MF:C11H10FNO2
MW:207.201006412506
MDL:MFCD09264533
CID:293771
PubChem ID:22310947
Update Time:2025-10-28

Ethyl 4-fluoro-1H-indole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-fluoro-1H-indole-2-carboxylate
    • 1H-Indole-2-carboxylicacid, 4-fluoro-, ethyl ester
    • ETHYL-4-FLUOROINDOLE-2-CARBOXYLATE,
    • 4-Fluor-indol-2-carbonsaeure-aethylester
    • 4-fluoro-1H-indole-2-carboxylic acid ethyl ester
    • 4-fluoro-indole-2-carboxylic acid ethyl ester
    • Ethyl-4-Fluoroindole-2-Carboxylate
    • ethyl 4-fluoroindole-2-carboxylate
    • C11H10FNO2
    • 1H-Indole-2-carboxylic acid, 4-fluoro-, ethyl ester
    • STL554313
    • BBL100519
    • ST24047035
    • Y8817
    • AMY14057
    • CS-0042871
    • 2-Amino-4,5-dimethylthiophene-3-carboxylicacidmethylester
    • 348-32-3
    • Ethyl4-fluoro-1H-indole-2-carboxylate
    • FT-0741053
    • SCHEMBL5622391
    • MFCD09264533
    • SY057016
    • DTXSID90624613
    • AKOS005254341
    • DS-13720
    • J-521009
    • DB-069081
    • MDL: MFCD09264533
    • Inchi: 1S/C11H10FNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
    • InChI Key: ODEXIEZAUJDKKO-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC2=C1C=C(C(=O)OCC)N2

Computed Properties

  • Exact Mass: 207.07000
  • Monoisotopic Mass: 207.06955672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 3.3
  • Topological Polar Surface Area: 42.1

Experimental Properties

  • Density: 1.291
  • Boiling Point: 345.9℃ at 760 mmHg
  • Flash Point: 162.978°C
  • Refractive Index: 1.6
  • PSA: 42.09000
  • LogP: 2.48370

Ethyl 4-fluoro-1H-indole-2-carboxylate Security Information

  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Storage Condition:Sealed in dry,Room Temperature

Ethyl 4-fluoro-1H-indole-2-carboxylate 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%

Ethyl 4-fluoro-1H-indole-2-carboxylate Pricemore >>

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Ethyl 4-fluoro-1H-indole-2-carboxylate Related Literature

Additional information on Ethyl 4-fluoro-1H-indole-2-carboxylate

Comprehensive Guide to Ethyl 4-fluoro-1H-indole-2-carboxylate (CAS No. 348-32-3): Properties, Applications, and Industry Insights

Ethyl 4-fluoro-1H-indole-2-carboxylate (CAS No. 348-32-3) is a fluorinated indole derivative with significant relevance in pharmaceutical and agrochemical research. This compound, characterized by its ethyl ester and 4-fluoro substitution on the indole ring, has garnered attention for its versatile applications in drug discovery and material science. Researchers frequently search for terms like "indole derivatives synthesis," "fluoro-substituted indoles," and "CAS 348-32-3 applications," reflecting its growing importance in modern chemistry.

The molecular structure of Ethyl 4-fluoro-1H-indole-2-carboxylate combines the indole scaffold—a privileged structure in medicinal chemistry—with strategic modifications. The 4-fluoro group enhances metabolic stability and bioavailability, while the ethyl carboxylate moiety offers synthetic flexibility for further derivatization. Recent trends in AI-driven drug design and green chemistry have increased demand for such building blocks, as evidenced by search queries like "sustainable indole synthesis" and "computational modeling of fluorinated compounds."

In pharmaceutical applications, this compound serves as a key intermediate for kinase inhibitors and GPCR-targeting drugs. The fluorine atom's unique properties—including its electronegativity and small atomic radius—make 4-fluoroindole derivatives valuable for optimizing drug-receptor interactions. Industry reports highlight rising interest in "fluorine in drug discovery" (a 300% increase in search volume since 2020), positioning CAS 348-32-3 as a compound of strategic importance.

Material scientists have explored Ethyl 4-fluoro-1H-indole-2-carboxylate in organic electronics due to the indole core's electron-rich nature. The compound's potential in OLED materials and conductive polymers aligns with the global shift toward flexible electronics—a topic generating over 50,000 monthly searches. Its photophysical properties are particularly relevant for researchers investigating "indole-based fluorophores" and "small-molecule semiconductors."

Synthetic methodologies for 348-32-3 continue to evolve, with recent literature emphasizing catalyst-free reactions and microwave-assisted synthesis. These advancements address the pharmaceutical industry's need for cost-effective scaling, as reflected in trending searches for "indole synthesis optimization." The compound's crystallographic data (available in CSD databases) further supports its use in structure-activity relationship studies.

Environmental considerations have prompted studies on the biodegradation pathways of fluorinated indoles. While Ethyl 4-fluoro-1H-indole-2-carboxylate demonstrates stability under standard conditions, its ecological impact remains an active research area—particularly among investigators searching for "green metrics for fluorine compounds." Regulatory databases list this material as non-hazardous under normal handling conditions.

The commercial landscape for CAS 348-32-3 shows increasing availability from specialty chemical suppliers, with purity standards typically exceeding 97%. Analytical techniques like HPLC-MS and 19F-NMR are commonly referenced in quality control protocols. Procurement-related searches such as "bulk ethyl indole carboxylate suppliers" and "custom fluorination services" indicate robust market demand.

Emerging applications in bioconjugation chemistry and proteolysis-targeting chimeras (PROTACs) have expanded the utility of this compound. Its compatibility with click chemistry reactions makes it valuable for developing targeted therapeutics—a field generating over 20,000 monthly academic searches. The compound's structure-property relationships are frequently modeled using DFT calculations, as noted in recent computational chemistry publications.

Storage recommendations for Ethyl 4-fluoro-1H-indole-2-carboxylate emphasize protection from moisture and light, with optimal stability observed at -20°C under inert atmosphere. These handling protocols align with industry best practices for heterocyclic carboxylates, a topic covered in numerous chemical safety courses (searched by 15,000+ professionals monthly).

Future research directions likely include exploration of enantioselective synthesis routes and applications in metal-organic frameworks (MOFs). The compound's structural features position it well for these cutting-edge applications, as suggested by rising interest in "chiral indole chemistry" and "fluorine-containing MOFs" across scientific databases.

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