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CS-W001157 4
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6-(Trifluoromethyl)-3-pyridinecarboxaldehyde

  • CAS No. 386704-12-7

  • Cat. No. CS-W008718
  • Purity≥97%
  • MDL No.MFCD01862647

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

6-(Trifluoromethyl)-3-pyridinecarboxaldehyde|CS-W008718

Structure of 386704-12-7

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General Information

  • CAS No. 386704-12-7
  • Cat. No. CS-W008718
  • Purity ≥97%
  • MDL No. MFCD01862647
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO
  • Molecular Weight 175.11
  • Synonym(s) 6-Trifluoromethylnicotinaldehyde; 6-(Trifluoromethyl)-3-pyridinecarboxaldehyde
  • SMILES O=CC1=CN=C(C(F)(F)F)C=C1

Description

6-(Trifluoromethyl)-3-pyridinecarboxaldehyde features a trifluoromethyl group at the 6-position and an aldehyde functional group at the 3-position of a pyridine ring. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, enabling efficient coupling reactions and facilitating the synthesis of bioactive molecules through palladium-catalyzed transformations.

Application

6-(Trifluoromethyl)-3-pyridinecarboxaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized heterocycles via Suzuki-Miyaura and Ullmann couplings. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the aldehyde functionality facilitates reductive amination and imine-based transformations. Bench-stable and readily purified by column chromatography, it functions reliably in multistep synthesis of bioactive scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.9129
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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