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CS-W001157 4
Total: USD 88.00

1-Benzyl-1H-indole-5-carbaldehyde

  • CAS No. 63263-88-7

  • Cat. No. CS-0319672
  • Molecule weight235.28
  • Purity98+%
  • MDL No.None

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

1-Benzyl-1H-indole-5-carbaldehyde|CS-0319672

Structure of 63263-88-7

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General Information

  • CAS No. 63263-88-7
  • Cat. No. CS-0319672
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO
  • Molecular Weight 235.28
  • Synonym(s) 1-Benzylindole-5-carboxaldehyde
  • SMILES C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C=O

Synthesis

  • Route1
    • 1-Benzylindoline|CS-1152732
      6037-73-6
    • null|null
      68-12-2
    • ~74%
    • 1-Benzyl-1H-indole-5-carbaldehyde|CS-0319672
      63263-88-7

    References

    • Niewohner, Ulrich; Niewohner, Maria; Bauser, Marcus; Erguden, Jens-Kerim; Flubacher, Dietmar; Naab, Paul; Repp, Thorsten-Oliver; Stoltefuss, Jurgen; Burkhardt, Nils; Sewing, Andrea; Schauer, Michael; Schlemmer, Karl-Heinz; Weber, Olaf; Boyer, Stephen J.; Miglarese, Mark; Fan, Jianmei; Phillips, Barton; Raudenbush, Brian C.; Wang, Yamin Patent: US2003/236276 A1, 2003 ; Location in patent: Page 15 ; US 20030236276 A1
  • Route2
    • 1-Benzyl-2,3-dihydro-1h-indole-5-carbaldehyde|CS-0239251
      63263-84-3
    • ~75%
    • 1-Benzyl-1H-indole-5-carbaldehyde|CS-0319672
      63263-88-7

    References

    • Poszavacz, Laszlo; Simig, Gyula; Fetter, Jozsef; Bertha, Ferenc Heterocycles, 2006 , vol. 68, # 4 p. 713 - 719
  • Route3

    References

    • Lai, Mei-Jung; Huang, Han-Li; Pan, Shiow-Lin; Liu, Yi-Min; Peng, Chieh-Yu; Lee, Hsueh-Yun; Yeh, Teng-Kuang; Huang, Po-Hsien; Teng, Che-Ming; Chen, Ching-Shih; Chuang, Hsun-Yueh; Liou, Jing-Ping Journal of Medicinal Chemistry, 2012 , vol. 55, # 8 p. 3777 - 3791

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   22
  • LogP   3.5021
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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