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CS-W001157 4
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5-Benzyloxyindole-3-carbaldehyde

  • CAS No. 6953-22-6

  • Cat. No. CS-W014096
  • Molecule weight251.28
  • Purity≥97%
  • MDL No.MFCD00014562

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

5-Benzyloxyindole-3-carbaldehyde|CS-W014096

Structure of 6953-22-6

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General Information

  • CAS No. 6953-22-6
  • Cat. No. CS-W014096
  • Purity ≥97%
  • MDL No. MFCD00014562
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO₂
  • Molecular Weight 251.28
  • Synonym(s) 5-Benzyloxyindole-3-carboxaldehyde
  • SMILES C2=C(OCC1=CC=CC=C1)C=CC3=C2C(=C[NH]3)C=O

Synthesis

  • Route1
    • In-stock
      5-(Benzyloxy)-1H-indole|CS-W013088
      1215-59-4
    • null|null
      68-12-2
    • ~81%
    • In-stock
      5-Benzyloxyindole-3-carbaldehyde|CS-W014096
      6953-22-6

    References

    • ASTRAZENECA AB Patent: WO2005/66132 A1, 2005 ; Location in patent: Page/Page column 90-91 ; WO 2005/066132 A1
  • Route2

    References

    • Aoki, Katsuyuki; Koseki, Jyun-Ichi; Takeda, Shuichi; Aburada, Masaki; Miyamoto, Ken-Ichi Chemical and Pharmaceutical Bulletin, 2007 , vol. 55, # 6 p. 922 - 925
  • Route3

    References

    • Journal of medicinal chemistry, , vol. 38, # 13 p. 2331 - 2338

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P305+P351+P338-P333+P317-P337+P313-P362+P364-P501

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   3.5594
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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