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CS-W001157 4
Total: USD 88.00

Methyl 5-(3-bromophenyl)isoxazole-3-carboxylate

  • CAS No. 745078-74-4

  • Cat. No. CS-0150738
  • Purity≥97%
  • MDL No.MFCD19442794

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

Methyl 5-(3-bromophenyl)isoxazole-3-carboxylate|CS-0150738

Structure of 745078-74-4

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General Information

  • CAS No. 745078-74-4
  • Cat. No. CS-0150738
  • Purity ≥97%
  • MDL No. MFCD19442794
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈BrNO₃
  • Molecular Weight 282.09
  • Synonym(s) 5-(3-Bromophenyl)isoxazole-3-carboxylic acid methyl ester
  • SMILES COC(=O)C1=NOC(=C1)C2=CC(=CC=C2)Br

Synthesis

  • Route1
    • Methyl 4-(3-bromophenyl)-2,4-dioxobutanoate|CS-0313786
      93618-22-5
    • ~89%
    • In-stock
      Methyl 5-(3-bromophenyl)isoxazole-3-carboxylate|CS-0150738
      745078-74-4

    References

    • Xin, Zhili; Liu, Gang; Pei, Zhonghua; Szczepankiewicz, Bruce G.; Serby, Michael D.; Zhao, Hongyu Patent: US2004/214870 A1, 2004 ; Location in patent: Page 18 ; US 20040214870 A1

Safety Information

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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   52.33
  • LogP   2.8907
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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