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CS-W001157 4
Total: USD 88.00

(1S,3R)-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. 171596-42-2

  • Cat. No. CS-0166262
  • Molecule weight350.37
  • Purity≥98%
  • MDL No.None

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

(1S,3R)-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-0166262

Structure of 171596-42-2

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General Information

  • CAS No. 171596-42-2
  • Cat. No. CS-0166262
  • Purity ≥98%
  • MDL No. None
  • 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 impurities 7
  • 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
      1453864-08-8
    • ~96%
    • (1S,3R)-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-0166262
      171596-42-2

    References

    • Dong, Jing; Meng, Tian-Zhuo; Shi, Xiao-Xin; Zou, Wen-Hui; Lu, Xia Tetrahedron Asymmetry, 2013 , vol. 24, # 15-16 p. 883 - 893
  • Route2
    • null|null
      497182-99-7
    • ~96%
    • (1S,3R)-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-0166262
      171596-42-2

    References

    • Dong, Jing; Meng, Tian-Zhuo; Shi, Xiao-Xin; Zou, Wen-Hui; Lu, Xia Tetrahedron Asymmetry, 2013 , vol. 24, # 15-16 p. 883 - 893
  • Route3
    • null|null
      120-57-0
    • In-stock
      Tryptophan methyl ester|CS-0012136
      4299-70-1
    • ~7%
    • null|null
      171596-41-1
    • (1S,3R)-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-0166262
      171596-42-2

    References

    • Tetrahedron Asymmetry, , vol. 19, # 4 p. 435 - 442

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-P305+P351+P338-P330-P362+P364-P403+P233-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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