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CS-W001157 4
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1-(5-Hydroxy-2-methyl-1h-indol-3-yl)ethan-1-one

  • CAS No. 57827-05-1

  • Cat. No. CS-0279484
  • Purity≥98%
  • MDL No.None

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

1-(5-Hydroxy-2-methyl-1h-indol-3-yl)ethan-1-one|CS-0279484

Structure of 57827-05-1

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General Information

  • CAS No. 57827-05-1
  • Cat. No. CS-0279484
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 1-(5-hydroxy-2-methyl-1H-indol-3-yl)ethanone
  • SMILES CC1=C(C(=O)C)C2=C(C=CC(=C2)O)N1

Synthesis

  • Route1
    • (E)-4-Aminopent-3-en-2-one|CS-0970843
      80012-14-2
    • null|null
      106-51-4
    • ~79%
    • 1-(5-Hydroxy-2-methyl-1h-indol-3-yl)ethan-1-one|CS-0279484
      57827-05-1

    References

    • Velezheva, Valeriya S.; Kornienko, Albert G.; Topilin, Sergey V.; Turashev, Ascar D.; Peregudov, Alexander S.; Brennan, Patrick J. Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 4 p. 873 - 879
  • Route2
    • (E)-4-Aminopent-3-en-2-one|CS-0970843
      80012-14-2
    • null|null
      106-51-4
    • ~0%
    • 1-(5-Hydroxy-2-methyl-1h-indol-3-yl)ethan-1-one|CS-0279484
      57827-05-1
    • 3-Acetyl-5-hydroxy-2-methylbenzofuran|CS-0072956
      28241-99-8

    References

    • Mukhanova, T. I.; Alekseeva, L. M.; Kuleshova, E. F.; Sheinker, Yu. N.; Granik, V. G. Pharmaceutical Chemistry Journal, 1993 , vol. 27, # 2 p. 136 - 142 Khimiko-Farmatsevticheskii Zhurnal, 1993 , vol. 27, # 2 p. 60 - 65
  • Route3

    References

    • Grinew et al. Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 1449,1450; engl. Ausg. S. 1629

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.38452
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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