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CS-W001157 4
Total: USD 88.00

4,5,6,7-Tetrahydro-1H-indole

  • CAS No. 13618-91-2

  • Cat. No. CS-0006599
  • Purity≥97%
  • MDL No.MFCD00012134

*For research and further manufacturing use only, not for direct human use.

4,5,6,7-Tetrahydro-1H-indole|CS-0006599

Structure of 13618-91-2

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General Information

  • CAS No. 13618-91-2
  • Cat. No. CS-0006599
  • Purity ≥97%
  • MDL No. MFCD00012134
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁N
  • Molecular Weight None
  • Synonym(s) NSC 122455
  • SMILES C12=C(NC=C2)CCCC1

Description

4,5,6,7-Tetrahydroindoles, due to their easy aromatization, are good intermediates to synthesize indoles. 4,5,6,7-Tetrahydroindole on condensation with cyanoacetate leads to 1-ethylthio-2-cyano-4,5,6,7-tetrahydrocyclohexa-[c]-3H-pyrrolizin-3-one.4,5,6,7-Tetrahydroindole was used as reactant in:synthesis of ethyl 3-(4,5,6,7-tetrahydroindol-2-yl)-2-propynoatepreparation of BODIPY dyesN-alkylation with chloromethyloxiranepreparation of hydroindolepropynoate by chemo- and regioselective solvent-free ethynylationpalladium- and copper-free cross-coupling of halopropynoatespreparation of carbonylalkenyl indoles via coupling with dicarbonyl compounds1:2 annelation of 4,5,6,7-tetrahydroindole with 1-benzoyl-2-phenylacetylene

Synthesis

  • Route1

    References

    • THE JOHNS HOPKINS UNIVERSITY; THE SCRIPPS RESEARCH INSTITUTE; ZACK, Donald, Jeffrey; BANNISTER, Thomas; VOJKOVSKY, Tomas; YANG, Zhiyong; BERLINICKE, Cynthia Patent: WO2011/119777 A2, 2011 ; Location in patent: Page/Page column 35-36 ; WO 2011/119777 A2
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • ~9%
    • Octahydro-1H-indole|CS-0046641
      4375-14-8
    • In-stock
      4,5,6,7-Tetrahydro-1H-indole|CS-0006599
      13618-91-2
    • In-stock
      Indoline|CS-W009145
      496-15-1

    References

    • Journal of Catalysis, , vol. 213, # 1 p. 47 - 62
  • Route3

    References

    • Journal of Catalysis, , vol. 311, p. 357 - 368

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   1.8935
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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