Cas no 227960-12-5 (5-Methylindole-3-carboxylic acid methyl ester)

5-Methylindole-3-carboxylic acid methyl ester is a versatile indole derivative widely used in organic synthesis and pharmaceutical research. Its key advantages include a stable ester functional group, which enhances reactivity in coupling reactions and facilitates further derivatization. The methyl substitution at the 5-position offers steric and electronic modulation, making it valuable for constructing complex heterocyclic frameworks. This compound exhibits good solubility in common organic solvents, simplifying handling in laboratory settings. Its well-defined structure and high purity make it a reliable intermediate for developing bioactive molecules, particularly in medicinal chemistry applications targeting indole-based scaffolds. The ester group also allows for straightforward hydrolysis or transesterification, broadening its utility in multi-step syntheses.
5-Methylindole-3-carboxylic acid methyl ester structure
227960-12-5 structure
Product Name:5-Methylindole-3-carboxylic acid methyl ester
CAS No:227960-12-5
MF:C11H11NO2
MW:189.210542917252
MDL:MFCD02179412
CID:67099
PubChem ID:2759866
Update Time:2025-05-28

5-Methylindole-3-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-methylindole-3-carboxylate
    • 5-Methylindole-3-carboxylic acid methyl ester
    • methyl 5-methyl-1H-indole-3-carboxylate
    • 3-methoxycarbonyl-5-methyl-1H-indole
    • 5-methyl-1H-indole-3-methyl carboxylate
    • methyl 5-methyl-3-indolecarboxylate
    • 5-Methylindole-3-carboxylicacidmethylester
    • 5-Methyl-1H-indole-3-carboxylic acid methyl ester
    • PubChem9482
    • 1H-Indole-3-carboxylic acid, 5-methyl-, methyl ester
    • ZECAAQDHFZNFPB-UHFFFAOYSA-N
    • SY058800
    • BC67
    • SB35611
    • 227960-12-5
    • A4853
    • SCHEMBL4240354
    • BDBM50577594
    • CHEMBL4863910
    • Methyl5-methylindole-3-carboxylate
    • AC-6493
    • CS-0148297
    • DTXSID80374953
    • FT-0630303
    • 5-methylindole-3-carboxylic acid methyl ester, AldrichCPR
    • AS-62149
    • methyl 5-methyl-1H-indole-3-carboxylate;Methyl 5-methylindole-3-carboxylate
    • AMY2817
    • MFCD02179412
    • AKOS006345220
    • DB-031755
    • MDL： MFCD02179412
    • Inchi： 1S/C11H11NO2/c1-7-3-4-10-8(5-7)9(6-12-10)11(13)14-2/h3-6,12H,1-2H3
    • InChI Key： ZECAAQDHFZNFPB-UHFFFAOYSA-N
    • SMILES： O(C)C(C1=CNC2C=CC(C)=CC=21)=O

Computed Properties

  • Exact Mass: 189.07900
  • Monoisotopic Mass: 189.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 2.9
  • Topological Polar Surface Area: 42.1

Experimental Properties

  • Color/Form: Light-red to Brown Solid
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 345.1℃/760mmHg
  • Flash Point: 181.8±27.9 °C
  • Refractive Index: 1.624
  • PSA: 42.09000
  • LogP: 2.26290

5-Methylindole-3-carboxylic acid methyl ester Security Information

5-Methylindole-3-carboxylic acid methyl ester 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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5-Methylindole-3-carboxylic acid methyl ester Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:227960-12-5)5-Methylindole-3-carboxylic acid methyl ester
Order Number:A4853
Stock Status:in Stock
Quantity:25g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:03
Price ($):1742.0/433.0

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Amadis Chemical Company Limited
(CAS:227960-12-5)5-Methylindole-3-carboxylic acid methyl ester
A4853
Purity:99%/99%
Quantity:25g/5g
Price ($):1742.0/433.0
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