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2-(5-(Benzyloxy)-1H-indol-3-yl)-2-oxoacetic acid

  • CAS No. 101601-00-7

  • Cat. No. CS-0442561
  • Molecule weight295.29
  • Purity≥98%
  • MDL No.None

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

2-(5-(Benzyloxy)-1H-indol-3-yl)-2-oxoacetic acid|CS-0442561

Structure of 101601-00-7

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General Information

  • CAS No. 101601-00-7
  • Cat. No. CS-0442561
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₃NO₄
  • Molecular Weight 295.29
  • Synonym(s) 5-Benzyloxyindole 3-Glyoxylic Acid
  • SMILES C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C(=O)C(=O)O

Synthesis

  • Route1
    • null|null
      22424-61-9
    • ~%
    • 2-(5-(Benzyloxy)-1H-indol-3-yl)-2-oxoacetic acid|CS-0442561
      101601-00-7

    References

    • Guan, Xiangming; Borchardt, Ronald T. Tetrahedron Letters, 1994 , vol. 35, # 19 p. 3013 - 3016
  • Route2

    References

    • Guan, Xiangming; Borchardt, Ronald T. Tetrahedron Letters, 1994 , vol. 35, # 19 p. 3013 - 3016

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   79.39
  • LogP   3.0142
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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