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CS-W001157 4
Total: USD 88.00

1,4-Diphenyl-1-butanone

  • CAS No. 5407-91-0

  • Cat. No. CS-0206553
  • Purity≥98%
  • MDL No.MFCD00022005

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

1,4-Diphenyl-1-butanone|CS-0206553

Structure of 5407-91-0

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General Information

  • CAS No. 5407-91-0
  • Cat. No. CS-0206553
  • Purity ≥98%
  • MDL No. MFCD00022005
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₆O
  • Molecular Weight 224.30
  • Synonym(s) N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4-dimethylbenzamide
  • SMILES C1=CC=C(C=C1)CCCC(=O)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Loupy, Andre; Chatti, Saber; Delamare, Sarah; Lee, Dae-Yon; Chung, Jong-Hwa; Jun, Chul-Ho Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 10 p. 1280 - 1285
  • Route2
    • null|null
      65488-05-3
    • null|null
      2996-92-1
    • ~71%
    • 1,4-Diphenyl-1-butanone|CS-0206553
      5407-91-0

    References

    • Lee, Jae-Young; Fu, Gregory C. Journal of the American Chemical Society, 2003 , vol. 125, # 19 p. 5616 - 5617
  • Route3
    • 1-Phenylcyclobutan-1-ol|CS-0222998
      935-64-8
    • null|null
      108-90-7
    • ~84%
    • 1,4-Diphenyl-1-butanone|CS-0206553
      5407-91-0

    References

    • Ziadi, Asraa; Martin, Ruben Organic Letters, 2012 , vol. 14, # 5 p. 1266 - 1269

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H361-H372-H410
Precautionary Statements : P260-P264-P270-P273-P280-P330-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.8922
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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