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CS-W001157 4
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2-Iodo-3-methylbenzaldehyde

  • CAS No. 100130-55-0

  • Cat. No. CS-0850283
  • Molecule weight246.05
  • Purity≥98%
  • MDL No.None

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

2-Iodo-3-methylbenzaldehyde|CS-0850283

Structure of 100130-55-0

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General Information

  • CAS No. 100130-55-0
  • Cat. No. CS-0850283
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO
  • Molecular Weight 246.05
  • Synonym(s) None
  • SMILES O=CC1=CC=CC(C)=C1I

Description

2-Iodo-3-methylbenzaldehyde features a sterically accessible aldehyde group flanked by an iodine atom and a methyl substituent on the aromatic ring. This configuration enables direct functionalization in cross-coupling reactions, offering high reactivity under standard conditions while maintaining bench stability.

Application

2-Iodo-3-methylbenzaldehyde serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The iodide group facilitates palladium-catalyzed coupling with boronic acids, esters, and other nucleophiles under standard conditions. The aldehyde functionality allows for subsequent transformations including reductive amination, Wittig reactions, and imine formation. Bench-stable and readily purified by column chromatography, it supports scalable synthesis in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.41212
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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