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CS-W001157 4
Total: USD 88.00

4,6-Dimethoxy-1h-indole-2-carboxylic acid

  • CAS No. 105776-11-2

  • Cat. No. CS-0123142
  • Molecule weight221.21
  • Purity≥98%
  • MDL No.MFCD02664473

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

4,6-Dimethoxy-1h-indole-2-carboxylic acid|CS-0123142

Structure of 105776-11-2

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General Information

  • CAS No. 105776-11-2
  • Cat. No. CS-0123142
  • Purity ≥98%
  • MDL No. MFCD02664473
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₄
  • Molecular Weight 221.21
  • Synonym(s) 4,6-dimethoxyindole-2-carboxylic acid
  • SMILES O=C(C(N1)=CC2=C1C=C(OC)C=C2OC)O

Synthesis

  • Route1
    • null|null
      105776-30-5
    • ~90%
    • 4,6-Dimethoxy-1h-indole-2-carboxylic acid|CS-0123142
      105776-11-2

    References

    • Black, David St.C.; Kumar, Naresh; Wong, Laurence C. H. Australian Journal of Chemistry, 1986 , vol. 39, p. 15 - 20
  • Route2
    • Methyl 4,6-dimethoxy-1H-indole-2-carboxylate|CS-W014158
      105776-13-4
    • ~%
    • 4,6-Dimethoxy-1h-indole-2-carboxylic acid|CS-0123142
      105776-11-2

    References

    • Voss, Matthew E.; Carter, Percy H.; Tebben, Andrew J.; Scherle, Peggy A.; Brown, Gregory D.; Thompson, Lorin A.; Xu, Meizhong; Lo, Yvonne C.; Yang, Gengjie; Liu, Rui-Qin; Strzemienski, Paul; Everlof, J. Gerry; Trzaskos, James M.; Decicco, Carl P. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 3 p. 533 - 538

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   71.55
  • LogP   1.8833
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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