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CS-W001157 4
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Methyl 6-aminobenzo[d][1,3]dioxole-5-carboxylate

  • CAS No. 40680-63-5

  • Cat. No. CS-0148783
  • Purity≥97%
  • MDL No.MFCD00835593

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

Methyl 6-aminobenzo[d][1,3]dioxole-5-carboxylate|CS-0148783

Structure of 40680-63-5

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General Information

  • CAS No. 40680-63-5
  • Cat. No. CS-0148783
  • Purity ≥97%
  • MDL No. MFCD00835593
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight None
  • Synonym(s) Methyl 6-amino-1,3-benzodioxole-5-carboxylate
  • SMILES O=C(C1=C(N)C=C(OCO2)C2=C1)OC

Synthesis

  • Route1

    References

    • Maia, Rodolfo C.; Silva, Leandro L.; Mazzeu, Eduardo F.; Fumian, Milla M.; de Rezende, Claudia M.; Doriguetto, Antonio C.; Correa, Rodrigo S.; Miranda, Ana Luisa P.; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 18 p. 6517 - 6525
  • Route2

    References

    • Altmann, Karl-Heinz; Bold, Guido; Furet, Pascal; Manley, Paul William; Wood, Jeanette Marjorie; Ferrari, Stefano; Hofmann, Francesco; Mestan, Jurgen; Huth, Andreas; Kruger, Martin; Seidelmann, Dieter; Menrad, Andreas; Haberey, Martin; Thierauch, Karl-Heinz Patent: US2002/19414 A1, 2002 ;
  • Route3

    References

    • Berryman; Edmunds; Bunker; Haleen; Bryant; Welch; Doherty Bioorganic and Medicinal Chemistry, 1998 , vol. 6, # 9 p. 1447 - 1456

Safety Information

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GHS Pictogram : N/A
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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   70.78
  • LogP   0.7841
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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