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CS-W001157 4
Total: USD 88.00

3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid

  • CAS No. 618383-47-4

  • Cat. No. CS-W014767
  • Molecule weight219.20
  • Purity≥95%
  • MDL No.MFCD04124288

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

3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid|CS-W014767

Structure of 618383-47-4

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General Information

  • CAS No. 618383-47-4
  • Cat. No. CS-W014767
  • Purity ≥95%
  • MDL No. MFCD04124288
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₄
  • Molecular Weight 219.20
  • Synonym(s) 3-(4-METHOXYPHENYL)-5-ISOXAZOLECARBOXYLIC ACID
  • SMILES COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)O

Synthesis

  • Route1
    • null|null
      74903-79-0
    • null|null
      471-25-0
    • ~74%
    • 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid|CS-W014767
      618383-47-4

    References

    • Himo, Fahmi; Lovell, Timothy; Hilgraf, Robert; Rostovtsev, Vsevolod V.; Noodleman, Louis; Sharpless, K. Barry; Fokin, Valery V. Journal of the American Chemical Society, 2005 , vol. 127, # 1 p. 210 - 216
  • Route2

    References

    • Wang, Xi-Zhao; Jia, Jiong; Zhang, Yan; Xu, Wei-Ren; Liu, Wei; Shi, Fang-Niu; Wang, Jian-Wu Journal of the Chinese Chemical Society, 2007 , vol. 54, # 3 p. 643 - 652
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 70, # 19 p. 7761 - 7764

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   72.56
  • LogP   2.0484
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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