Cas no 676448-17-2 (1-Boc-4-Bromoindole)

1-Boc-4-Bromoindole is a protected indole derivative featuring a Boc (tert-butoxycarbonyl) group at the 1-position and a bromine substituent at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The Boc group enhances stability and facilitates selective deprotection under mild acidic conditions, while the bromine atom allows for further functionalization via cross-coupling reactions such as Suzuki or Buchwald-Hartwig couplings. Its high purity and well-defined reactivity make it a valuable building block for constructing complex indole-based scaffolds. The compound is typically handled under inert conditions to preserve its integrity.
1-Boc-4-Bromoindole structure
1-Boc-4-Bromoindole structure
Product Name:1-Boc-4-Bromoindole
CAS No:676448-17-2
MF:C13H14BrNO2
MW:296.159762859344
MDL:MFCD04117874
CID:68599
PubChem ID:40425427
Update Time:2025-06-09

1-Boc-4-Bromoindole Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-4-Bromoindole
    • tert-butyl-4-bromo-1H-indole-1-carboxylate
    • 4-Bromoindole-1-carboxylic acid tert-butyl ester
    • tert-butyl 4-bromo-1H-indole-1-carboxylate
    • tert-butyl 4-bromoindole-1-carboxylate
    • 4-BROMOINDOLE, N-BOC PROTECTED
    • 1H-Indole-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
    • N-Boc-4-bromoindole
    • PubChem9120
    • 4-Bromoindole,N-BOC protected
    • ZGBNKNOAADXGOH-UHFFFAOYSA-N
    • MFC
    • EN300-6766852
    • A9056
    • MB03354
    • MFCD04117874
    • SY064493
    • 4-bromo-indole-1-carboxylic acid-tert-butyl ester
    • SCHEMBL1284244
    • AM20050413
    • 4-Bromo-indole-1-carboxylic Acid tert-Butyl Ester
    • PS-7154
    • DTXSID00654209
    • AKOS015841204
    • 676448-17-2
    • FT-0600105
    • CS-W021304
    • DB-001552
    • MDL： MFCD04117874
    • Inchi： 1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
    • InChI Key： ZGBNKNOAADXGOH-UHFFFAOYSA-N
    • SMILES： BrC1=CC=CC2=C1C=CN2C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 295.02100
  • Monoisotopic Mass: 295.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 300
  • 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: 31.2
  • XLogP3: 4

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.4±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 367.9±34.0 °C at 760 mmHg
  • Flash Point: 176.3±25.7 °C
  • Refractive Index: 1.599
  • PSA: 31.23000
  • LogP: 4.18700
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

1-Boc-4-Bromoindole Security Information

1-Boc-4-Bromoindole 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%

1-Boc-4-Bromoindole Pricemore >>

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1-Boc-4-Bromoindole Production Method

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