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CS-W001157 4
Total: USD 88.00

3,5-Dimethyl-4-methoxybenzaldehyde

  • CAS No. 39250-90-3

  • Cat. No. CS-W021817
  • Molecule weight164.20
  • Purity≥96%
  • MDL No.MFCD02261755

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

3,5-Dimethyl-4-methoxybenzaldehyde|CS-W021817

Structure of 39250-90-3

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General Information

  • CAS No. 39250-90-3
  • Cat. No. CS-W021817
  • Purity ≥96%
  • MDL No. MFCD02261755
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) 4-METHOXY-3,5-DIMETHYLBENZALDEHYDE
  • SMILES COC1=C(C)C=C(C=O)C=C1C

Description

3,5-Dimethyl-4-methoxybenzaldehyde features a methoxy-substituted aromatic ring flanked by two methyl groups, delivering enhanced electron density and steric protection. This combination improves stability and solubility in organic solvents, enabling efficient use in coupling reactions and as a building block for functionalized heterocycles under standard conditions.

Application

3,5-Dimethyl-4-methoxybenzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced solubility and metabolic stability due to its methyl and methoxy substituents. The aldehyde functionality enables straightforward derivatization via nucleophilic addition, reductive amination, or condensation reactions, while the ortho-methyl groups provide steric shielding and improved bench stability. Its defined electronic profile facilitates predictable reactivity in coupling and heterocycle-forming processes.

Synthesis

  • Route1
    • In-stock
      4-Hydroxy-3,5-dimethylbenzaldehyde|CS-W007807
      2233-18-3
    • null|null
      74-88-4
    • ~95%
    • In-stock
      3,5-Dimethyl-4-methoxybenzaldehyde|CS-W021817
      39250-90-3

    References

    • Johnson, Steven M.; Connelly, Stephen; Wilson, Ian A.; Kelly, Jeffery W. Journal of Medicinal Chemistry, 2008 , vol. 51, # 20 p. 6348 - 6358
  • Route2
    • null|null
      74-90-8
    • In-stock
      2,6-Dimethylanisole|CS-0153695
      1004-66-6
    • ~%
    • In-stock
      3,5-Dimethyl-4-methoxybenzaldehyde|CS-W021817
      39250-90-3

    References

    • Gattermann Justus Liebigs Annalen der Chemie, 1907 , vol. 357, p. 373

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.12454
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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