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CS-W001157 4
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Methyl 3-methylisoxazole-5-carboxylate

  • CAS No. 1004-96-2

  • Cat. No. CS-0035753
  • Purity≥98%
  • MDL No.None

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

Methyl 3-methylisoxazole-5-carboxylate|CS-0035753

Structure of 1004-96-2

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General Information

  • CAS No. 1004-96-2
  • Cat. No. CS-0035753
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₃
  • Molecular Weight 141.13
  • Synonym(s) methyl 3-methyl-5-isoxazolecarboxylate
  • SMILES CC1=NOC(=C1)C(=O)OC

Description

Methyl 3-methylisoxazole-5-carboxylate features a sterically hindered isoxazole core paired with a methyl ester group, enabling direct incorporation into heterocyclic synthesis. This bench-stable reagent facilitates efficient access to bioactive scaffolds in medicinal chemistry and materials science applications.

Application

Methyl 3-methylisoxazole-5-carboxylate serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds through standard coupling and functionalization reactions. Its stability under ambient conditions and compatibility with diverse reaction conditions facilitate straightforward purification and integration into medicinal chemistry workflows.

Synthesis

  • Route1
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      139365-99-4
    • null|null
      922-67-8
    • ~65%
    • In-stock
      Methyl 3-methylisoxazole-5-carboxylate|CS-0035753
      1004-96-2

    References

    • Journal of the Chemical Society, Chemical Communications, , # 23 p. 1671 - 1672
  • Route2
    • null|null
      683-58-9
    • null|null
      922-67-8
    • ~%
    • In-stock
      Methyl 3-methylisoxazole-5-carboxylate|CS-0035753
      1004-96-2

    References

    • Chemische Berichte, , vol. 106, p. 3345 - 3367
  • Route3
    • null|null
      107-29-9
    • null|null
      922-67-8
    • ~%
    • In-stock
      Methyl 3-methylisoxazole-5-carboxylate|CS-0035753
      1004-96-2

    References

    • Tetrahedron, , vol. 50, # 22 p. 6643 - 6652

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   0.76962
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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