Cas no 847448-73-1 (3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester)

3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester is a versatile indole derivative widely employed in organic synthesis and pharmaceutical research. Its key structural features—a formyl group at the 3-position and a methoxy substituent at the 6-position—make it a valuable intermediate for constructing complex heterocyclic frameworks. The tert-butyl ester moiety enhances stability and solubility, facilitating handling and purification. This compound is particularly useful in the synthesis of biologically active molecules, including kinase inhibitors and other therapeutic agents. Its high purity and well-defined reactivity profile ensure consistent performance in coupling reactions and functional group transformations, making it a reliable choice for medicinal chemistry applications.
3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester structure
847448-73-1 structure
Product Name:3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester
CAS No:847448-73-1
MF:C15H17NO4
MW:275.299784421921
MDL:MFCD05864713
CID:720492
PubChem ID:21573409
Update Time:2025-06-07

3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-3-Formyl-6-methoxyindole
    • 1H-Indole-1-carboxylicacid, 3-formyl-6-methoxy-, 1,1-dimethylethyl ester
    • 3-Formyl-6-methoxyindole-1-carboxylic acid tert-butyl ester
    • tert-butyl 3-formyl-6-methoxyindole-1-carboxylate
    • tert-butyl 3-formyl-6-methoxy-1H-indole-1-carboxylate
    • YQGCVAXEDJZWOE-UHFFFAOYSA-N
    • OR1693
    • ST2408667
    • AX8087053
    • AB0026973
    • W8741
    • 1H-INDOLE-1-CARBOXYLIC ACID,3-FORMYL-6-METHOXY-,1,
    • 1H-Indole-1-carboxylicacid, 3-formyl-6-methoxy-
    • 1,1-Dimethylethyl 3-formyl-6-methoxy-1H-indole-1-carboxylate (ACI)
    • 1-Boc-6-methoxy-3-indolecarboxaldehyde
    • DTXSID80615959
    • MFCD05864713
    • 847448-73-1
    • DB-001595
    • DS-8595
    • CS-0213281
    • SCHEMBL15902037
    • AKOS015836947
    • 6-Methoxyindole-3-carboxaldehyde, N-BOC protected
    • 3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester
    • MDL： MFCD05864713
    • Inchi： 1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-10(9-17)12-6-5-11(19-4)7-13(12)16/h5-9H,1-4H3
    • InChI Key： YQGCVAXEDJZWOE-UHFFFAOYSA-N
    • SMILES： O=CC1C2C(=CC(=CC=2)OC)N(C(OC(C)(C)C)=O)C=1

Computed Properties

  • Exact Mass: 275.11600
  • Monoisotopic Mass: 275.11575802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 377
  • 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: 57.5
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 375.2±22.0 °C at 760 mmHg
  • Flash Point: 180.7±22.3 °C
  • Refractive Index: 1.543
  • PSA: 57.53000
  • LogP: 3.24560

3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester Security Information

3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl 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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3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  1 h, rt
1.2 Reagents: Water ;  rt
Reference
Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin
Wang, Qinghui; Arnst, Kinsie E.; Wang, Yuxi; Kumar, Gyanendra; Ma, Dejian; et al, Journal of Medicinal Chemistry, 2019, 62(14), 6734-6750

Production Method 2

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Acetonitrile ;  overnight, rt
Reference
Synthesis of homocarbonyltopsentine derivatives
Montagne, Cyril; Fournet, Guy; Joseph, Benoit, Synthesis, 2005, (1), 136-146

Production Method 3

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  16 h, rt
Reference
Chemoenzymatic Synthesis of 13-Oxoverruculogen
Yang, Jun ; Singh, Brandon ; Cohen, Gabriel; Ting, Chi P., Journal of the American Chemical Society, 2023, 145(35), 19189-19194

Production Method 4

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  16 h, rt
Reference
A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes
Markey, Sophie J.; Lewis, William; Moody, Christopher J., Organic Letters, 2013, 15(24), 6306-6308

3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester Raw materials

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3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:847448-73-1)3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester
Order Number:A864020
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:44
Price ($):196.0

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Amadis Chemical Company Limited
(CAS:847448-73-1)3-Formyl-6-methoxyindole-1-carboxylic Acid tert-Butyl Ester
A864020
Purity:99%
Quantity:5g
Price ($):196.0
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