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CS-W001157 4
Total: USD 88.00

6-Methyl-1,2-benzisoxazol-3-ol

  • CAS No. 66571-26-4

  • Cat. No. CS-B1579
  • Purity≥97%
  • MDL No.MFCD13180536

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

6-Methyl-1,2-benzisoxazol-3-ol|CS-B1579

Structure of 66571-26-4

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General Information

  • CAS No. 66571-26-4
  • Cat. No. CS-B1579
  • Purity ≥97%
  • MDL No. MFCD13180536
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂
  • Molecular Weight 149.15
  • Synonym(s) 6-Methylbenzo[d]isoxazol-3(2H)-one
  • SMILES O=C1NOC2=C1C=CC(C)=C2

Description

6-Methyl-1,2-benzisoxazol-3-ol features a fused benzisoxazole core with a phenolic hydroxyl group at the 3-position and a methyl substituent at the 6-position. This electron-rich scaffold exhibits enhanced solubility and stability under standard conditions, enabling direct incorporation into synthetic sequences without protective group manipulation.

Application

6-Methyl-1,2-benzisoxazol-3-ol serves as a versatile scaffold for heterocyclic synthesis, offering a stable platform for further functionalization at the 3-position. Its inherent stability under standard reaction conditions enables efficient derivatization via electrophilic substitution or coupling reactions. The molecule functions as a key building block in medicinal chemistry due to its favorable metabolic profile and compatibility with diverse synthetic transformations.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46
  • LogP   1.42952
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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