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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)nicotinaldehyde

  • CAS No. 1083197-78-7

  • Cat. No. CS-0088893
  • Purity≥95%
  • MDL No.MFCD07781251

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

4-(Trifluoromethyl)nicotinaldehyde|CS-0088893

Structure of 1083197-78-7

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General Information

  • CAS No. 1083197-78-7
  • Cat. No. CS-0088893
  • Purity ≥95%
  • MDL No. MFCD07781251
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO
  • Molecular Weight 175.11
  • Synonym(s) 4-(Trifluoromethyl)-3-formylpyridine
  • SMILES O=CC1=C(C(F)(F)F)C=CN=C1

Description

4-(Trifluoromethyl)nicotinaldehyde features a trifluoromethyl group at the pyridine ring's 4-position, enhancing electron-withdrawing character and metabolic stability. This aldehyde integrates readily into synthetic scaffolds, serving as a key building block for pharmaceutical intermediates and functional materials under standard conditions.

Application

4-(Trifluoromethyl)nicotinaldehyde serves as a versatile building block in medicinal chemistry, enabling the synthesis of heterocyclic scaffolds via condensation and coupling reactions. Its electron-deficient pyridine ring enhances reactivity in nucleophilic additions, while the aldehyde functionality facilitates straightforward derivatization. The trifluoromethyl group imparts metabolic stability and improved lipophilicity, making this compound valuable for constructing bioactive molecules with enhanced pharmacokinetic profiles.

Synthesis

  • Route1
    • null|null
      323180-94-5
    • ~%
    • In-stock
      4-(Trifluoromethyl)nicotinaldehyde|CS-0088893
      1083197-78-7

    References

    • WO2012/177893 A2, ; Page/Page column 118-119 ; WO 2012/177893 A2
  • Route2
    • In-stock
      3-Bromo-4-(trifluoromethyl)pyridine|CS-0197522
      936841-70-2
    • null|null
      68-12-2
    • ~%
    • In-stock
      4-(Trifluoromethyl)nicotinaldehyde|CS-0088893
      1083197-78-7

    References

    • WO2013/43520 A1, ; Page/Page column 39 ;
  • Route3

    References

    • WO2012/177893 A2, ; WO 2012/177893 A2

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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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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