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CS-W001157 4
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2-Iodo-4,5-dimethylbenzaldehyde

  • CAS No. 1094026-85-3

  • Cat. No. CS-0335415
  • Purity≥97%
  • MDL No.MFCD14583067

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

2-Iodo-4,5-dimethylbenzaldehyde|CS-0335415

Structure of 1094026-85-3

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General Information

  • CAS No. 1094026-85-3
  • Cat. No. CS-0335415
  • Purity ≥97%
  • MDL No. MFCD14583067
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉IO
  • Molecular Weight 260.07
  • Synonym(s) 2-lodo-4,5-dimethylbenzaldehyde
  • SMILES CC1=CC(=C(C=C1C)I)C=O

Description

2-Iodo-4,5-dimethylbenzaldehyde delivers a reactive iodide handle and electron-rich aromatic core, enabling efficient cross-coupling transformations. The aldehyde group provides a site for chemoselective derivatization, while the methyl substituents enhance solubility and stabilize the molecule under standard conditions. This compound serves as a valuable building block in synthetic medicinal chemistry and materials science.

Application

2-Iodo-4,5-dimethylbenzaldehyde serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The iodide group facilitates reliable coupling under standard conditions, while the aldehyde functionality offers orthogonal reactivity for further functionalization. Bench-stable and readily purified by flash chromatography, it supports scalable synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Uyanik, Muhammet; Akakura, Matsujiro; Ishihara, Kazuaki Journal of the American Chemical Society, 2009 , vol. 131, p. 251 - 262

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.72054
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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