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CS-W001157 4
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5-Methylisoxazole-3-carbaldehyde

  • CAS No. 62254-74-4

  • Cat. No. CS-0085287
  • Purity≥95%
  • MDL No.MFCD06797459

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

5-Methylisoxazole-3-carbaldehyde|CS-0085287

Structure of 62254-74-4

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General Information

  • CAS No. 62254-74-4
  • Cat. No. CS-0085287
  • Purity ≥95%
  • MDL No. MFCD06797459
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₂
  • Molecular Weight 111.10
  • Synonym(s) 5-Methylisoxazole-3-carboxaldehyde
  • SMILES O=CC1=NOC(C)=C1

Description

5-Methylisoxazole-3-carbaldehyde features a sterically accessible aldehyde group flanked by an electron-deficient isoxazole ring and a methyl substituent, enabling direct functionalization in heterocyclic synthesis. This bench-stable scaffold integrates readily into bioactive molecule design, offering enhanced solubility and metabolic stability compared to analogous aldehydes.

Synthesis

  • Route1

    References

    • WO2005/40142 A1, ; Page/Page column 38-39 ; WO 2005/040142 A1
  • Route2

    References

    • Khanna; Yu; Huff; Weier; Xu; Koszyk; Collins; Cogburn; Isakson; Koboldt; Masferrer; Perkins; Seibert; Veenhuizen; Yuan; Yang; Zhang Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 3168 - 3185
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 19, p. 557 - 560

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1325
Class : 4.1
Packing Group : Ⅲ
Hazard Statements : H228-H302
Precautionary Statements : P210-P240-P241-P264-P270-P280-P330-P370+P378-P501

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   0.79552
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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