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(S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate Benazepril Impurity

  • CAS No. 109010-60-8

  • Cat. No. CS-0228831
  • Purity≥97%
  • MDL No.MFCD03426719

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

(S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate Benazepril Impurity|CS-0228831

Structure of 109010-60-8

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General Information

  • CAS No. 109010-60-8
  • Cat. No. CS-0228831
  • Purity ≥97%
  • MDL No. MFCD03426719
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂N₂O₃
  • Molecular Weight 290.36
  • Synonym(s) tert-Butyl-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-(3S)-benzazepine-1-acetate
  • SMILES O=C1N(CC(OC(C)(C)C)=O)C2=CC=CC=C2CC[C@@H]1N

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry, , vol. 62, # 23 p. 8271 - 8272
  • Route2
    • null|null
      197658-51-8
    • ~%
    • (S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate Benazepril Impurity|CS-0228831
      109010-60-8

    References

    • Journal of Organic Chemistry, , vol. 62, # 23 p. 8271 - 8272
  • Route3
    • null|null
      107-59-5
    • (3S)-3-[[(S)-1-Phenylethyl]amino]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one|CS-0093819
      197658-50-7
    • ~%
    • (S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate Benazepril Impurity|CS-0228831
      109010-60-8

    References

    • Journal of Organic Chemistry, , vol. 62, # 23 p. 8271 - 8272

Safety Information

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Computational Chemistry Data

  • TPSA   72.63
  • LogP   1.6348
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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