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CS-W001157 4
Total: USD 88.00

(1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Tadalafil Impurity

  • CAS No. 171596-43-3

  • Cat. No. CS-0166256
  • Purity≥97%
  • MDL No.MFCD27918678

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

(1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate  Tadalafil Impurity|CS-0166256

Structure of 171596-43-3

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General Information

  • CAS No. 171596-43-3
  • Cat. No. CS-0166256
  • Purity ≥97%
  • MDL No. MFCD27918678
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₈N₂O₄
  • Molecular Weight 350.37
  • Synonym(s) Tadanafil Impurity 1
  • SMILES O=C([C@@H]1CC2=C([C@H](C3=CC=C(OCO4)C4=C3)N1)NC5=C2C=CC=C5)OC

Synthesis

  • Route1
    • null|null
      120-57-0
    • null|null
      64-17-5
    • In-stock
      L-Trp-OH Amino acid impurity|CS-1733143
      73-22-3
    • ~%
    • null|null
      171596-44-4
    • (1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate  Tadalafil Impurity|CS-0166256
      171596-43-3

    References

    • LEK Pharmaceuticals d.d. Patent: EP2107059 A1, 2009 ; Location in patent: Page/Page column 9 ;
  • Route2
    • null|null
      120-57-0
    • In-stock
      Tryptophan methyl ester|CS-0012136
      4299-70-1
    • ~36%
    • null|null
      171596-44-4
    • (1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate  Tadalafil Impurity|CS-0166256
      171596-43-3

    References

    • Daugan, Alain; Grondin, Pascal; Ruault, Cecile; Le Monnier de Gouville, Anne-Charlotte; Coste, Herve; Linget, Jean Michel; Kirilovsky, Jorge; Hyafil, Francois; Labaudinieret, Richard Journal of Medicinal Chemistry, 2003 , vol. 46, # 21 p. 4533 - 4542
  • Route3

    References

    • Xiao, Sen; Shi, Xiao-Xin; Xing, Jing; Yan, Jing-Jing; Liu, Shi-Ling; Lu, Wei-Dong Tetrahedron Asymmetry, 2009 , vol. 20, # 18 p. 2090 - 2096

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   72.58
  • LogP   2.6733
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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