Cas no 914349-12-5 (Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate)

Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate is a protected indole derivative featuring both hydroxyl and hydroxymethyl functional groups, which are valuable for further synthetic modifications. The tert-butyloxycarbonyl (Boc) group enhances stability, facilitating handling and storage under standard conditions. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and bioactive molecules. Its dual functionalization allows selective derivatization, enabling precise control over molecular structure. The Boc-protected amine also provides compatibility with a wide range of reaction conditions, making it suitable for multi-step synthetic routes. Its well-defined reactivity profile ensures reproducibility in research and industrial applications.
Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate structure
914349-12-5 structure
Product Name:Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate
CAS No:914349-12-5
MF:C14H17NO4
MW:263.289084196091
MDL:MFCD05864722
CID:796661
PubChem ID:40428539
Update Time:2025-05-28

Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-4-Hydroxy-3-hydroxymethylindole
    • 1H-Indole-1-carboxylicacid, 4-hydroxy-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
    • tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate
    • 4-HYDROXY-3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • tert-butyl 4-hydroxy-3-(hydroxymethyl)indole-1-carboxylate
    • SBB102658
    • OR1703
    • AX8159464
    • ST24031819
    • W9436
    • 4-Hydroxy-3-(hydroxymethyl)indole, N-BOC prote
    • 4-Hydroxy-3-(hydroxymethyl)indole, N-BOC protected
    • CS-0154787
    • MFCD05864722
    • DS-0083
    • FT-0760241
    • AKOS015837034
    • 1H-Indole-1-carboxylicacid,4-hydroxy-3-(hydroxymethyl)-,1,1-dimethylethyl ester
    • tert-Butyl4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate
    • DTXSID60654326
    • 914349-12-5
    • A860419
    • DB-001877
    • Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate
    • MDL： MFCD05864722
    • Inchi： 1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-9(8-16)12-10(15)5-4-6-11(12)17/h4-7,16-17H,8H2,1-3H3
    • InChI Key： GZYOILCYQLZCCX-UHFFFAOYSA-N
    • SMILES： O(C(N1C=C(CO)C2C(=CC=CC1=2)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 263.11575802g/mol
  • Monoisotopic Mass: 263.11575802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 339
  • 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: 71.7
  • XLogP3: 2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 451.7°C at 760 mmHg
  • Flash Point: 227°C
  • Refractive Index: 1.569
  • PSA: 71.69000
  • LogP: 2.62240

Tert-Butyl 4-hydroxy-3-(hydroxymethyl)-1H-indole-1-carboxylate Pricemore >>

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