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Ethyl 6-bromobenzo[d]isoxazole-3-carboxylate

  • CAS No. 651780-27-7

  • Cat. No. CS-0041263
  • Purity≥95%
  • MDL No.MFCD11045248

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

Ethyl 6-bromobenzo[d]isoxazole-3-carboxylate|CS-0041263

Structure of 651780-27-7

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General Information

  • CAS No. 651780-27-7
  • Cat. No. CS-0041263
  • Purity ≥95%
  • MDL No. MFCD11045248
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₃
  • Molecular Weight 270.08
  • Synonym(s) Ethyl 6-bromobenzisoxazole-3-carboxylate
  • SMILES O=C(C1=NOC2=CC(Br)=CC=C12)OCC

Synthesis

  • Route1

    References

    • Schumacher, Richard; Danca, Mihaela Diana; Ma, Jianguo; Herbert, Brian; Nguyen, True Minh; Xie, Wenge; Tehim, Ashok Patent: US2007/78147 A1, 2007 ; Location in patent: Page/Page column 72 ;
  • Route2
    • Ethyl 2-(4-bromo-3-nitrophenyl)acetate|CS-0674317
      875258-18-7
    • null|null
      110-46-3
    • ~27%
    • Ethyl 6-bromobenzo[d]isoxazole-3-carboxylate|CS-0041263
      651780-27-7

    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: WO2005/111038 A2, 2005 ; Location in patent: Page/Page column 66-67 ; WO 2005/111038 A2

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.767
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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