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Ethyl 5-(3-methoxyphenyl)isoxazole-3-carboxylate

  • CAS No. 668971-57-1

  • Cat. No. CS-0524325
  • Molecule weight247.25
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-(3-methoxyphenyl)isoxazole-3-carboxylate|CS-0524325

Structure of 668971-57-1

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General Information

  • CAS No. 668971-57-1
  • Cat. No. CS-0524325
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃NO₄
  • Molecular Weight 247.25
  • Synonym(s) Ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
  • SMILES O=C(C1=NOC(C2=CC=CC(OC)=C2)=C1)OCC

Synthesis

  • Route1

    References

    • Elzein, Elfatih; Kalla, Rao; Li, Xiaofen; Perry, Thao; Parkhill, Eric; Palle, Venkata; Varkhedkar, Vaibahv; Gimbel, Art; Zeng, Dewan; Lustig, David; Leung, Kwan; Zablocki, Jeff Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 2 p. 302 - 306

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   61.56
  • LogP   2.5269
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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