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CS-W001157 4
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2-Methyl-6-benzoxazolecarboxaldehyde

  • CAS No. 864274-04-4

  • Cat. No. CS-0019334
  • Purity≥97%
  • MDL No.MFCD20528168

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

2-Methyl-6-benzoxazolecarboxaldehyde|CS-0019334

Structure of 864274-04-4

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General Information

  • CAS No. 864274-04-4
  • Cat. No. CS-0019334
  • Purity ≥97%
  • MDL No. MFCD20528168
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 2-Methylbenzo[d]oxazole-6-carbaldehyde
  • SMILES O=CC1=CC=C2N=C(C)OC2=C1

Description

2-Methyl-6-benzoxazolecarboxaldehyde features a benzoxazole core with a methyl group at the 2-position and a formyl substituent at the 6-position, delivering a rigid, electron-deficient heterocyclic scaffold. This configuration enhances reactivity in coupling reactions and supports applications in medicinal chemistry and materials science.

Application

2-Methyl-6-benzoxazolecarboxaldehyde serves as a versatile building block for heterocyclic synthesis, enabling efficient access to benzoxazole-based scaffolds through standard coupling and functionalization reactions. Its aldehyde functionality facilitates imine formation and reductive amination, while the methyl group provides steric and electronic modulation. The compound exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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   43.1
  • LogP   1.94872
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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