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CS-W001157 4
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tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate Atazanavir Impurity

  • CAS No. 198904-86-8

  • Cat. No. CS-0531421
  • Molecule weight562.70
  • Purity≥98%
  • MDL No.MFCD17019309

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

tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate Atazanavir Impurity|CS-0531421

Structure of 198904-86-8

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General Information

  • CAS No. 198904-86-8
  • Cat. No. CS-0531421
  • Purity ≥98%
  • MDL No. MFCD17019309
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₂H₄₂N₄O₅
  • Molecular Weight 562.70
  • Synonym(s) tert-butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-(4-pyridin-2-ylbenzyl)hydrazinecarboxylate
  • SMILES CC(C)(C)OC(N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(NC(OC(C)(C)C)=O)CC2=CC=C(C3=CC=CC=N3)C=C2)=O

Synthesis

  • Route1
    • (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane Atazanavir  Impurity|CS-0228766
      98760-08-8
    • tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate|CS-0141577
      198904-85-7
    • ~87%
    • tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate Atazanavir Impurity|CS-0531421
      198904-86-8

    References

    • Xu, Zhongmin; Singh, Janak; Schwinden, Mark D.; Zheng, Bin; Kissick, Thomas P.; Patel, Bharat; Humora, Michael J.; Quiroz, Fernando; Dong, Lin; Hsieh, Dau-Ming; Heikes, James E.; Pudipeddi, Madhusudhan; Lindrud, Mark D.; Srivastava, Sushil K.; Kronenthal, David R.; Mueller, Richard H. Organic Process Research and Development, 2002 , vol. 6, # 3 p. 323 - 328
  • Route2
    • null|null
      198905-10-1
    • ~58%
    • tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate Atazanavir Impurity|CS-0531421
      198904-86-8

    References

    • Faessler, Alex; Bold, Guido; Steiner, Heinz Tetrahedron Letters, 1998 , vol. 39, # 27 p. 4925 - 4928
  • Route3
    • null|null
      109-04-6
    • ~%
    • tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate Atazanavir Impurity|CS-0531421
      198904-86-8

    References

    • Journal of Medicinal Chemistry, , vol. 41, # 18 p. 3387 - 3401

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H373
Precautionary Statements : P260-P264-P280-P305+P351+P338-P501

Quality Control

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Computational Chemistry Data

  • TPSA   113.02
  • LogP   5.4872
  • H_Acceptors   7
  • H_Donors   3
  • Rotatable_Bonds   10

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