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CS-W001157 4
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6-(Benzyloxy)-1h-indole-2-carboxylic acid

  • CAS No. 40047-22-1

  • Cat. No. CS-0123145
  • Purity≥98%
  • MDL No.MFCD02664461

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

6-(Benzyloxy)-1h-indole-2-carboxylic acid|CS-0123145

Structure of 40047-22-1

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General Information

  • CAS No. 40047-22-1
  • Cat. No. CS-0123145
  • Purity ≥98%
  • MDL No. MFCD02664461
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO₃
  • Molecular Weight 267.28
  • Synonym(s) 6-phenylmethoxy-1H-indole-2-carboxylic acid
  • SMILES O=C(C(N1)=CC2=C1C=C(OCC3=CC=CC=C3)C=C2)O

Synthesis

  • Route1
    • null|null
      40047-20-9
    • ~92%
    • 6-(Benzyloxy)-1h-indole-2-carboxylic acid|CS-0123145
      40047-22-1

    References

    • Dong, Xiaochun; Zhang, Zhenshan; Wen, Ren; Shen, Jianhua; Shen, Xu; Jiang, Hualiang Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 22 p. 5913 - 5916
  • Route2

    References

    • Dong, Xiaochun; Zhang, Zhenshan; Wen, Ren; Shen, Jianhua; Shen, Xu; Jiang, Hualiang Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 22 p. 5913 - 5916
  • Route3
    • null|null
      40047-21-0
    • ~%
    • 6-(Benzyloxy)-1h-indole-2-carboxylic acid|CS-0123145
      40047-22-1

    References

    • Burton; Stoves Journal of the Chemical Society, 1937 , p. 1726 Full Text Show Details Beer et al. Journal of the Chemical Society, 1948 , p. 1605,1608 Full Text Show Details Kondo et al. Itsuu Kenkyusho Nempo, 1959 , # 10 p. 1,6; engl. Ref. S. 33, 40 Chem.Abstr., 1960 , p. 492

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   62.32
  • LogP   3.4451
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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