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CS-W001157 4
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(1H-benzo[d][1,2,3]triazol-1-yl)(p-tolyl)methanone

  • CAS No. 59046-28-5

  • Cat. No. CS-0331686
  • Purity≥98%
  • MDL No.None

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

(1H-benzo[d][1,2,3]triazol-1-yl)(p-tolyl)methanone|CS-0331686

Structure of 59046-28-5

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General Information

  • CAS No. 59046-28-5
  • Cat. No. CS-0331686
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁N₃O
  • Molecular Weight 237.26
  • Synonym(s) 1-(4-Methylbenzoyl)-1H-benzotriazole
  • SMILES CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2

Synthesis

  • Route1

    References

    • Katritzky, Alan R.; Cai, Chunming; Singh, Sandeep K. Journal of Organic Chemistry, 2006 , vol. 71, # 9 p. 3375 - 3380
  • Route2
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      874-60-2
    • ~92%
    • (1H-benzo[d][1,2,3]triazol-1-yl)(p-tolyl)methanone|CS-0331686
      59046-28-5

    References

    • Al-Awadi, Nouria A.; George, Bobby J.; Dib, Hicham H.; Ibrahim, Maher R.; Ibrahim, Yehia A.; El-Dusouqui, Osman M. E. Tetrahedron, 2005 , vol. 61, # 34 p. 8257 - 8263
  • Route3

    References

    • Katritzky, Alan R.; Suzuki, Kazuyuki; Singh, Sandeep K.; He, Hai-Ying Journal of Organic Chemistry, 2003 , vol. 68, # 14 p. 5720 - 5723 Title/Abstract Full Text View citing articles Show Details Katritzky, Alan R.; Suzuki, Kazuyuki; Singh, Sandeep K. Croatica Chemica Acta, 2004 , vol. 77, # 1-2 p. 175 - 178

Safety Information

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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

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   2.42822
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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