Cas no 27065-94-7 (Ethyl (3-Formyl-1H-indol-1-yl)acetate)

Ethyl (3-Formyl-1H-indol-1-yl)acetate is a versatile indole derivative widely used in organic synthesis and pharmaceutical research. Its key structural features include a reactive formyl group at the 3-position and an ester-functionalized side chain, enabling its use as a building block for heterocyclic compounds and bioactive molecules. The compound is particularly valuable in the synthesis of indole-based scaffolds, serving as an intermediate for alkaloids, drug candidates, and agrochemicals. Its stability under standard conditions and compatibility with various reaction conditions enhance its utility in multi-step synthetic routes. The product is typically supplied with high purity, ensuring reliable performance in research and industrial applications.
Ethyl (3-Formyl-1H-indol-1-yl)acetate structure
27065-94-7 structure
Product Name:Ethyl (3-Formyl-1H-indol-1-yl)acetate
CAS No:27065-94-7
MF:C13H13NO3
MW:231.247223615646
MDL:MFCD00717225
CID:53070
PubChem ID:801676
Update Time:2025-06-07

Ethyl (3-Formyl-1H-indol-1-yl)acetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(3-formyl-1H-indol-1-yl)acetate
    • (3-Formyl-indol-1-yl)-acetic acid ethyl ester
    • ethyl 2-(3-formylindol-1-yl)acetate
    • CHEMBL1458014
    • YBKKLZGZHIBOBZ-UHFFFAOYSA-N
    • ethyl (3-formyl-indol-1-yl)-acetate
    • (3-formylindol-1-yl)acetic acid ethyl ester
    • CS-0313238
    • ethyl (3-formyl-1H-indol-1-yl)acetate
    • (3-formyl-indol-1-yl)acetic acid ethyl ester
    • AP-501/15276185
    • BB 0217313
    • A877032
    • SCHEMBL1250151
    • ethyl(3-formyl-1h-indol-1-yl)acetate
    • SMR000115819
    • Ethyl (3-formyl-indol-1-yl)acetate
    • FT-0638667
    • SR-01000310241
    • AKOS000100224
    • SR-01000310241-1
    • MFCD00717225
    • 27065-94-7
    • HMS2422M21
    • MLS000067590
    • LS-02477
    • Ethyl2-(3-formyl-1H-indol-1-yl)acetate
    • DTXSID30355454
    • STK499859
    • DB-047152
    • ALBB-006871
    • Ethyl (3-Formyl-1H-indol-1-yl)acetate
    • MDL： MFCD00717225
    • Inchi： 1S/C13H13NO3/c1-2-17-13(16)8-14-7-10(9-15)11-5-3-4-6-12(11)14/h3-7,9H,2,8H2,1H3
    • InChI Key： YBKKLZGZHIBOBZ-UHFFFAOYSA-N
    • SMILES： O(CC)C(CN1C=C(C=O)C2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 231.09000
  • Monoisotopic Mass: 231.089543
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 292
  • 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: 48.3
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 397.5±22.0 °C at 760 mmHg
  • Flash Point: 194.2°C
  • Refractive Index: 1.569
  • PSA: 48.30000
  • LogP: 2.01690
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Ethyl (3-Formyl-1H-indol-1-yl)acetate Security Information

Ethyl (3-Formyl-1H-indol-1-yl)acetate 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 (3-Formyl-1H-indol-1-yl)acetate Pricemore >>

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