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CS-W001157 4
Total: USD 88.00

3-(3-Methoxybenzoyl)benzonitrile

  • CAS No. 750633-59-1

  • Cat. No. CS-0589596
  • Molecule weight237.25
  • Purity≥98%
  • MDL No.None

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

3-(3-Methoxybenzoyl)benzonitrile|CS-0589596

Structure of 750633-59-1

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General Information

  • CAS No. 750633-59-1
  • Cat. No. CS-0589596
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁NO₂
  • Molecular Weight 237.25
  • Synonym(s) 3-Cyano-3'-methoxybenzophenone
  • SMILES COC1=CC=CC(=C1)C(=O)C2=CC=CC(=C2)C#N

Synthesis

  • Route1
    • (3-Bromophenyl)(3-methoxyphenyl)methanone|CS-0589594
      750633-66-0
    • null|null
      544-92-3
    • ~98%
    • 3-(3-Methoxybenzoyl)benzonitrile|CS-0589596
      750633-59-1

    References

    • Inamoto, Kiyofumi; Saito, Tadataka; Katsuno, Mika; Sakamoto, Takao; Hiroya, Kou Organic Letters, 2007 , vol. 9, # 15 p. 2931 - 2934
  • Route2

    References

    • Hayashi, Yoshio; Yamazaki, Yuri; Sumikura, Makiko; Masuda, Yurika; Hayashi, Yoshiki; Yasui, Hiroyuki; Kiso, Yoshiaki; Chinen, Takumi; Usui, Takeo; Yakushiji, Fumika; Potts, Barbara; Neuteboom, Saskia; Palladino, Michael; Lloyd, George Kenneth Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 14 p. 4279 - 4289
  • Route3

    References

    • Organic Letters, , vol. 9, # 15 p. 2931 - 2934

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

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.79788
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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