Cas no 1228349-18-5 (tert-Butyl 6-iodo-1H-indole-1-carboxylate)

Technical Introduction: tert-Butyl 6-iodo-1H-indole-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its role in constructing indole-based scaffolds. The tert-butyloxycarbonyl (Boc) protecting group enhances stability, facilitating handling and storage, while the iodine substituent at the 6-position offers a reactive site for cross-coupling reactions, such as Suzuki or Sonogashira couplings. This compound is widely utilized in pharmaceutical and agrochemical research for the development of heterocyclic compounds. Its high purity and well-defined reactivity make it a reliable choice for precise synthetic applications. The Boc group can be readily deprotected under mild acidic conditions, enabling further functionalization of the indole core.
tert-Butyl 6-iodo-1H-indole-1-carboxylate structure
1228349-18-5 structure
Product Name:tert-Butyl 6-iodo-1H-indole-1-carboxylate
CAS No:1228349-18-5
MF:C13H14INO2
MW:343.160235881805
CID:1033152
PubChem ID:71463960
Update Time:2025-06-08

tert-Butyl 6-iodo-1H-indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 6-iodo-1H-indole-1-carboxylate
    • tert-butyl 6-iodoindole-1-carboxylate
    • G63884
    • DB-353084
    • DTXSID00855794
    • SCHEMBL18788892
    • 1228349-18-5
    • tert-Butyl6-iodo-1H-indole-1-carboxylate
    • Inchi： 1S/C13H14INO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3
    • InChI Key： XUZRBAUXEQTMDV-UHFFFAOYSA-N
    • SMILES： IC1C=CC2C=CN(C(=O)OC(C)(C)C)C=2C=1

Computed Properties

  • Exact Mass: 343.00693g/mol
  • Monoisotopic Mass: 343.00693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • 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
  • XLogP3: 3.9
  • Topological Polar Surface Area: 31.2?2

tert-Butyl 6-iodo-1H-indole-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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Aaron
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Ambeed
A503445-100mg
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