Cas no 101909-43-7 (Methyl 4-bromo-1H-indole-3-carboxylate)

Methyl 4-bromo-1H-indole-3-carboxylate is a brominated indole derivative with significant utility in organic synthesis and pharmaceutical research. The compound features a reactive bromine substituent at the 4-position and an ester group at the 3-position, making it a versatile intermediate for further functionalization. Its indole core is a common scaffold in bioactive molecules, enabling applications in the development of pharmacologically active compounds. The ester group enhances solubility and facilitates downstream modifications, while the bromine atom allows for selective cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. This compound is particularly valuable in medicinal chemistry for constructing complex heterocyclic structures.
Methyl 4-bromo-1H-indole-3-carboxylate structure
101909-43-7 structure
Product Name:Methyl 4-bromo-1H-indole-3-carboxylate
CAS No:101909-43-7
MF:C10H8BrNO2
MW:254.080021858215
MDL:MFCD09836009
CID:124789
PubChem ID:13499091
Update Time:2025-06-08

Methyl 4-bromo-1H-indole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-1H-indole-3-carboxylate
    • 1H-INDOLE-3-CARBOXYLIC ACID,4-BROMO-,METHYL ESTER
    • 4-Bromo-1H-indole-3-carboxylic acid methyl ester
    • 4-bromo-3-methoxycarbonylindole
    • 4-bromo-indole-3-carboxylic acid methyl ester
    • methyl 4-bromo-3-indolecarboxylate
    • 4-Bromo-1H-indole-3-Carbocylic acid methyl ester
    • MFCD09836009
    • AC2707
    • MPAHRSJGIHOVOK-UHFFFAOYSA-N
    • BEA90943
    • AKOS015898585
    • CS-0321525
    • SB30208
    • Methyl 4-Bromoindole-3-carboxylate
    • SCHEMBL3554889
    • DTXSID80542296
    • SY058834
    • J-522313
    • 101909-43-7
    • FT-0709141
    • DB-058730
    • MDL： MFCD09836009
    • Inchi： 1S/C10H8BrNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3
    • InChI Key： MPAHRSJGIHOVOK-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC2=C1C(C(=O)OC)=CN2

Computed Properties

  • Exact Mass: 252.97400
  • Monoisotopic Mass: 252.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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?2

Experimental Properties

  • Refractive Index: 1.666
  • PSA: 42.09000
  • LogP: 2.71700

Methyl 4-bromo-1H-indole-3-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%

Methyl 4-bromo-1H-indole-3-carboxylate Pricemore >>

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Methyl 4-bromo-1H-indole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Catalysts: Rhodium Solvents: Tetrahydrofuran ;  rt → 0 °C; 0 °C; 3 h, 0 °C
1.2 Catalysts: Dabco Solvents: Dichloromethane ;  rt → 0 °C; 0 °C; 1 h
Reference
A general and scalable synthesis of polysubstituted indoles
Tejedor, David; et al, Molecules, 2020, 25(23),

Methyl 4-bromo-1H-indole-3-carboxylate Raw materials

Methyl 4-bromo-1H-indole-3-carboxylate Preparation Products

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