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CS-W001157 4
Total: USD 88.00

1-(1-Benzyl-1H-1,2,3-triazol-4-yl)ethan-1-one

  • CAS No. 80819-67-6

  • Cat. No. CS-0331019
  • Molecule weight201.22
  • Purity95+%
  • MDL No.None

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

1-(1-Benzyl-1H-1,2,3-triazol-4-yl)ethan-1-one|CS-0331019

Structure of 80819-67-6

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General Information

  • CAS No. 80819-67-6
  • Cat. No. CS-0331019
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁N₃O
  • Molecular Weight 201.22
  • Synonym(s) 1-PHENYL-2-PYRIDIN-1-IUM-1-YLBUTAN-1-ONE IODIDE
  • SMILES CC(=O)C1=CN(CC2=CC=CC=C2)N=N1

Synthesis

  • Route1

    References

    • Cuevas, Felix; Oliva, Ana I.; Pericas, Miquel A. Synlett, 2010 , # 12 p. 1873 - 1877
  • Route2
    • null|null
      2028-63-9
    • null|null
      622-79-7
    • ~93%
    • 1-(1-Benzyl-1H-1,2,3-triazol-4-yl)ethan-1-one|CS-0331019
      80819-67-6

    References

    • Diz, Paula M.; Coelho, Alberto; El Maatougui, Abdelaziz; Azuaje, Jhonny; Caamano, Olga; Gil, Alvaro; Sotelo, Eddy Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6540 - 6549
  • Route3
    • null|null
      78-94-4
    • null|null
      622-79-7
    • ~94%
    • 1-(1-Benzyl-1H-1,2,3-triazol-4-yl)ethan-1-one|CS-0331019
      80819-67-6

    References

    • Janreddy, Donala; Kavala, Veerababurao; Kuo, Chun-Wei; Chen, Wen-Chang; Ramesh, Chintakunta; Kotipalli, Trimurtulu; Kuo, Ting-Shen; Chen, Mei-Ling; He, Chiu-Hui; Yao, Ching-Fa Advanced Synthesis and Catalysis, 2013 , vol. 355, # 14-15 p. 2918 - 2927

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   1.529
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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