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CS-W001157 4
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1-(1H-benzo[d][1,2,3]triazol-1-yl)propan-2-one

  • CAS No. 64882-50-4

  • Cat. No. CS-0313455
  • Molecule weight175.19
  • Purity≥97%
  • MDL No.None

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

1-(1H-benzo[d][1,2,3]triazol-1-yl)propan-2-one|CS-0313455

Structure of 64882-50-4

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General Information

  • CAS No. 64882-50-4
  • Cat. No. CS-0313455
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O
  • Molecular Weight 175.19
  • Synonym(s) 1-(1H-1,2,3-BENZOTRIAZOL-1-YL)ACETONE
  • SMILES CC(=O)CN1C2=CC=CC=C2N=N1

Synthesis

  • Route1
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      67-64-1
    • ~81%
    • 1-(1H-benzo[d][1,2,3]triazol-1-yl)propan-2-one|CS-0313455
      64882-50-4

    References

    • Chen, Wenlin; Yan, Rulong; Tang, Dong; Guo, Shuaibo; Meng, Xu; Chen, Baohua Tetrahedron, 2012 , vol. 68, # 38 p. 7956 - 7959
  • Route2
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      78-95-5
    • ~66%
    • 1-(1H-benzo[d][1,2,3]triazol-1-yl)propan-2-one|CS-0313455
      64882-50-4

    References

    • Shu, Lianhe; Wang, Ping; Radinov, Roumen; Dominique, Romyr; Wright, James; Alabanza, Lady Mae; Dong, Yan Organic Process Research and Development, 2013 , vol. 17, # 1 p. 114 - 119
  • Route3
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      123-54-6
    • ~20%
    • 1-(1H-benzo[d][1,2,3]triazol-1-yl)propan-2-one|CS-0313455
      64882-50-4
    • null|null
      516519-41-8

    References

    • Chen, Wen-Lin; Li, Ji-Hui; Meng, Xu; Tang, Dong; Guo, Shuai-Bo; Chen, Bao-Hua Tetrahedron Letters, 2013 , vol. 54, # 4 p. 295 - 299

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   1.0203
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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