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CS-W001157 4
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7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

  • CAS No. 99358-09-5

  • Cat. No. CS-0231871
  • Purity95+%
  • MDL No.None

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

7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid|CS-0231871

Structure of 99358-09-5

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General Information

  • CAS No. 99358-09-5
  • Cat. No. CS-0231871
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid
  • SMILES C1COC2=C(C=C(C(=C2)N)C(=O)O)O1

Synthesis

  • Route1
    • Methyl 7-nitro-1,4-benzodioxane-6-carboxylate|CS-0130352
      52791-03-4
    • ~%
    • 7-Amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid|CS-0231871
      99358-09-5

    References

    • da Silva, Joaquim Fernando Mendes; Walters, Marcus; Al-Damluji, Saad; Ganellin, C. Robin Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 15 p. 7254 - 7263
  • Route2

    References

    • Heertjes et al. Journal of the Chemical Society, 1957 , p. 3445
  • Route3

    References

    • Heertjes et al. Journal of the Chemical Society, 1957 , p. 3445

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   81.78
  • LogP   0.7382
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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