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CS-W001157 4
Total: USD 88.00

3-Isopropoxybenzaldehyde

  • CAS No. 75792-33-5

  • Cat. No. CS-0186836
  • Purity≥97%
  • MDL No.None

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

3-Isopropoxybenzaldehyde|CS-0186836

Structure of 75792-33-5

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General Information

  • CAS No. 75792-33-5
  • Cat. No. CS-0186836
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) ALINDA 98893
  • SMILES CC(C)OC1=CC=CC(=C1)C=O

Description

3-Isopropoxybenzaldehyde features a para-substituted aromatic aldehyde with a sterically hindered isopropoxy group, enhancing solubility and stability under standard conditions. This electron-rich scaffold integrates readily into coupling reactions, serving as a robust building block for pharmaceutical intermediates and functional materials.

Application

3-Isopropoxybenzaldehyde serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its aldehyde functionality facilitates efficient reductive amination, Wittig reactions, and coupling processes, while the isopropoxy group provides moderate electron donation and enhanced solubility. The compound exhibits good bench stability and is readily purified by column chromatography, making it well-suited for scalable synthesis and process development workflows.

Synthesis

  • Route1
    • null|null
      75-30-9
    • 3-Hydroxybenzaldehyde Roxatidine Impurity|CS-0229483
      100-83-4
    • ~85%
    • In-stock
      3-Isopropoxybenzaldehyde|CS-0186836
      75792-33-5

    References

    • Bristol-Myers Squibb Company Patent: US2008/194535 A1, 2008 ; Location in patent: Page/Page column 36-37 ; US 20080194535 A1
  • Route2

    References

    • Abbott Laboratories Patent: US6284796 B1, 2001 ;
  • Route3
    • 3-Hydroxybenzaldehyde Roxatidine Impurity|CS-0229483
      100-83-4
    • null|null
      75-26-3
    • ~99%
    • In-stock
      3-Isopropoxybenzaldehyde|CS-0186836
      75792-33-5

    References

    • Cortes Morales, Julio Cesar; Guillen Torres, Alejandro; Gonzalez-Zamora, Eduardo European Journal of Organic Chemistry, 2011 , # 17 p. 3165 - 3170

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2863
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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