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CS-W001157 4
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(2-Methyl-1,3-benzoxazol-6-yl)methanol

  • CAS No. 136663-40-6

  • Cat. No. CS-0061391
  • Purity≥98%
  • MDL No.None

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

(2-Methyl-1,3-benzoxazol-6-yl)methanol|CS-0061391

Structure of 136663-40-6

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General Information

  • CAS No. 136663-40-6
  • Cat. No. CS-0061391
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) (2-Methylbenzo[d]oxazol-6-yl)methanol
  • SMILES CC1=NC2=C(C=C(C=C2)CO)O1

Description

This bench-stable benzoxazole derivative integrates a reactive benzylic alcohol group, enabling straightforward functionalization in synthetic workflows. The electron-rich aromatic system enhances compatibility with transition-metal-catalyzed couplings, while the methyl substitution improves solubility and stability under standard conditions.

Application

(2-Methyl-1,3-benzoxazol-6-yl)methanol serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the benzylic position. Its benzoxazole core provides enhanced metabolic stability and favorable pharmacokinetic properties, while the primary alcohol facilitates straightforward derivatization via oxidation, esterification, or coupling reactions. The molecule exhibits good bench stability and compatibility with standard synthetic protocols, making it well-suited for use in the construction of bioactive heterocycles and API intermediates.

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

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   1.62852
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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