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CS-W001157 4
Total: USD 88.00

3,5-Difluoro-4-methylbenzaldehyde

  • CAS No. 1429902-14-6

  • Cat. No. CS-0153538
  • Purity≥98%
  • MDL No.MFCD24038601

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

3,5-Difluoro-4-methylbenzaldehyde|CS-0153538

Structure of 1429902-14-6

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General Information

  • CAS No. 1429902-14-6
  • Cat. No. CS-0153538
  • Purity ≥98%
  • MDL No. MFCD24038601
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O
  • Molecular Weight 156.13
  • Synonym(s) None
  • SMILES CC1=C(C=C(C=C1F)C=O)F

Description

3,5-Difluoro-4-methylbenzaldehyde features a trifluorinated aromatic core with a methyl group at the para position relative to the aldehyde. This electron-deficient scaffold enables efficient coupling in cross-coupling and condensation reactions. The aldehyde functionality provides a direct handle for derivatization, while the fluorine substituents enhance metabolic stability and modulate electronic properties in pharmaceutical intermediates.

Application

3,5-Difluoro-4-methylbenzaldehyde serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its electron-withdrawing difluoro substitution enhances electrophilicity at the carbonyl center, facilitating nucleophilic addition reactions. The methyl group provides a handle for further functionalization, while the bench-stable aldehyde functionality offers predictable reactivity in standard transformations such as reductive amination, Grignard additions, and condensation reactions.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.08572
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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