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CS-W001157 4
Total: USD 88.00

(1H-imidazol-2-yl)(p-tolyl)methanone

  • CAS No. 116997-22-9

  • Cat. No. CS-0362758
  • Molecule weight186.21
  • Purity95+%
  • MDL No.None

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

(1H-imidazol-2-yl)(p-tolyl)methanone|CS-0362758

Structure of 116997-22-9

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General Information

  • CAS No. 116997-22-9
  • Cat. No. CS-0362758
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O
  • Molecular Weight 186.21
  • Synonym(s) 1H-Imidazol-2-YL(4-methylphenyl)methanone
  • SMILES CC1=CC=C(C=C1)C(=O)C2=NC=CN2

Synthesis

  • Route1
    • null|null
      397329-13-4
    • ~%
    • (1H-imidazol-2-yl)(p-tolyl)methanone|CS-0362758
      116997-22-9

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: EP1479384 A1, 2004 ;
  • Route2
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      874-60-2
    • ~67%
    • (1H-imidazol-2-yl)(p-tolyl)methanone|CS-0362758
      116997-22-9

    References

    • Ushiroda, Kantaro; Maruta, Katsunori; Takazawa, Takeshi; Nagano, Tomokazu; Taiji, Mutsuo; Kohno, Tetsuya; Sato, Yasuhiro; Horai, Shinji; Yanagi, Kazunori; Nagata, Ryu Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 7 p. 1978 - 1982
  • Route3

    References

    • Katritzky, Alan R.; Rewcastle, Gordon W.; Fan, Wei-Qiang Journal of Organic Chemistry, 1988 , vol. 53, # 24 p. 5685 - 5689

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   45.75
  • LogP   1.94912
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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