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CS-W001157 4
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2-(4-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole

  • CAS No. 568544-04-7

  • Cat. No. CS-0212983
  • Molecule weight273.51
  • Purity≥95%
  • MDL No.MFCD03273472

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

2-(4-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole|CS-0212983

Structure of 568544-04-7

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General Information

  • CAS No. 568544-04-7
  • Cat. No. CS-0212983
  • Purity ≥95%
  • MDL No. MFCD03273472
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrClN₂O
  • Molecular Weight 273.51
  • Synonym(s) 2-(4-BROMO-PHENYL)-5-CHLOROMETHYL-[1,3,4]OXADIAZOLE
  • SMILES C1=C(C=CC(=C1)Br)C2=NN=C(CCl)O2

Synthesis

  • Route1
    • null|null
      199938-23-3
    • ~77%
    • In-stock
      2-(4-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole|CS-0212983
      568544-04-7

    References

    • PFIZER LIMITED Patent: WO2006/100588 A1, 2006 ; Location in patent: Page/Page column 44-45 ; WO 2006/100588 A1
  • Route2
    • null|null
      79-11-8
    • In-stock
      4-Bromobenzoic hydrazide|CS-0130435
      5933-32-4
    • ~%
    • In-stock
      2-(4-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole|CS-0212983
      568544-04-7

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; BENNANI, Youssef, Laafiret; CADILHAC, Caroline; DAS, Sanjoy, Kumar; DIETRICH, Evelyne; GALLANT, Michel; LIU, Bingcan; PEREIRA, Oswy, Z.; RAMTOHUL, Yeeman, K.; REDDY, T., Jagadeeswar; VAILLANCOURT, Louis; YANNOPOULOS, Constantin; VALLEE, Frederic Patent: WO2013/134415 A1, 2013 ; Location in patent: Page/Page column 143; 144 ;
  • Route3

    References

    • Ellis, David Synthetic Communications, 2011 , vol. 41, # 7 p. 963 - 975

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   38.92
  • LogP   3.2379
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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