Cas no 885270-09-7 ((2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester)

(2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester is a protected indole derivative widely used as an intermediate in organic synthesis and pharmaceutical research. Its tert-butyloxycarbonyl (Boc) group provides stability under various reaction conditions while allowing selective deprotection under acidic conditions. This compound is particularly valuable in peptide and heterocycle chemistry, where it serves as a versatile building block for the introduction of the indole scaffold. The Boc protection enhances solubility in organic solvents and facilitates purification, making it advantageous for multi-step synthetic routes. Its consistent reactivity profile and compatibility with common reagents contribute to its utility in medicinal chemistry and drug development applications.
(2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester structure
885270-09-7 structure
Product Name:(2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester
CAS No:885270-09-7
MF:C13H18N2O2
MW:234.294223308563
MDL:MFCD08234595
CID:710693
PubChem ID:53432601
Update Time:2025-05-27

(2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl indolin-6-ylcarbamate
    • (2,3-Dihydro-1H-indol-6-yl)-carbamic acid tert-butyl ester
    • Carbamic acid,(2,3-dihydro-1H-indol-6-yl)-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl N-(2,3-dihydro-1H-indol-6-yl)carbamate
    • 1,1-Dimethylethyl N-(2,3-dihydro-1H-indol-6-yl)carbamate (ACI)
    • Carbamic acid, (2,3-dihydro-1H-indol-6-yl)-, 1,1-dimethylethyl ester (9CI)
    • tert-Butyl indolin-6-yl-carbamate, AldrichCPR
    • tert-Butyl 2,3-dihydro-1H-indol-6-ylcarbamate
    • tert-Butylindolin-6-ylcarbamate
    • (2,3-Dihydro-1H-indol-6-yl)-carbamic acid t-butyl ester
    • 885270-09-7
    • MB05542
    • DB-077342
    • SCHEMBL2229710
    • TERT-BUTYL INDOLIN-6-YL-CARBAMATE
    • G64177
    • EN300-3145070
    • CS-0330648
    • DTXSID40700597
    • MFCD08234595
    • (2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester
    • MDL: MFCD08234595
    • Inchi: 1S/C13H18N2O2/c1-13(2,3)17-12(16)15-10-5-4-9-6-7-14-11(9)8-10/h4-5,8,14H,6-7H2,1-3H3,(H,15,16)
    • InChI Key: VWVPSFNYFXGUHV-UHFFFAOYSA-N
    • SMILES: O=C(NC1C=C2NCCC2=CC=1)OC(C)(C)C

Computed Properties

  • Exact Mass: 234.136827821g/mol
  • Monoisotopic Mass: 234.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 286
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • Boiling Point: 314.2±31.0°C at 760 mmHg

(2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester Security Information

(2,3-Dihydro-1H-indol-6-yl)-carbamic Acid Tert-butyl Ester Pricemore >>

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