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CS-W001157 4
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5-(Bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole

  • CAS No. 196877-76-6

  • Cat. No. CS-0215381
  • Molecule weight268.11
  • Purity≥95%
  • MDL No.None

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

5-(Bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole|CS-0215381

Structure of 196877-76-6

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General Information

  • CAS No. 196877-76-6
  • Cat. No. CS-0215381
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀BrNO₂
  • Molecular Weight 268.11
  • Synonym(s) 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole
  • SMILES COC1=CC=C(C=C1)C2=NOC(=C2)CBr

Synthesis

  • Route1

    References

    • Daiichi Sankyo Company, Limited Patent: EP2308838 A1, 2011 ; Location in patent: Page/Page column 78 ;
  • Route2
    • In-stock
      (E)-4-Methoxybenzaldehyde oxime|CS-0307739
      3717-21-3
    • null|null
      106-96-7
    • ~61%
    • In-stock
      5-(Bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole|CS-0215381
      196877-76-6

    References

    • Liu, Yuxiu; Cui, Zhipeng; Liu, Bin; Cai, Baoli; Li, Yonghong; Wang, Qingmin Journal of Agricultural and Food Chemistry, 2010 , vol. 58, # 5 p. 2685 - 2689
  • Route3
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • ~%
    • In-stock
      5-(Bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole|CS-0215381
      196877-76-6

    References

    • Hansen, Eric C.; Levent, Mahmut; Connolly, Terrence J. Organic Process Research and Development, 2010 , vol. 14, # 3 p. 574 - 578

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.26
  • LogP   3.2451
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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