6-(2,2,2-Trifluoroethoxy)nicotinaldehyde

Name: 6-(2,2,2-Trifluoroethoxy)nicotinaldehyde
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CAS No. 159981-19-8
Cat. No. CS-0018954
Purity≥98%
MDL No.MFCD06738679

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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6-(2,2,2-Trifluoroethoxy)nicotinaldehyde|CS-0018954

Structure of 159981-19-8

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General Information

CAS No. 159981-19-8
Cat. No. CS-0018954
Purity ≥98%
MDL No. MFCD06738679
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆F₃NO₂
Molecular Weight 205.13
Synonym(s) 6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxaldehyde; 6-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE-3-CARBALDEHYDE
SMILES O=CC1=CC=C(OCC(F)(F)F)N=C1

Description

6-(2,2,2-Trifluoroethoxy)nicotinaldehyde features a trifluoromethyl ether substituent that enhances metabolic stability and lipophilicity. This electron-deficient aldehyde integrates readily into synthetic scaffolds for pharmaceutical intermediates, offering improved solubility in polar organic solvents and robust performance under standard bench conditions.

Application

6-(2,2,2-Trifluoroethoxy)nicotinaldehyde serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and functionalized pharmaceutical intermediates. Its trifluoroethoxy group enhances metabolic stability and modulates lipophilicity, while the aldehyde functionality supports efficient derivatization via reductive amination, imine formation, or condensation reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis workflows.

Synthesis

Route1
- 1373862-15-7
- ~%
- In-stock
  
  159981-19-8
References
- Taisho Pharmaceutical Co., Ltd.; BUSUJIMA, Tsuyoshi; OI, Takahiro; TANAKA, Hiroaki; SHIRASAKI, Yoshihisa; IWAKIRI, Kanako; SATO, Nagaaki; TOKITA, Shigeru Patent: EP2687507 A1, 2014 ; Location in patent: Paragraph 0379 ;

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

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Computational Chemistry Data

TPSA 39.19
LogP 1.8352
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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6-(2,2,2-Trifluoroethoxy)nicotinaldehyde

CAS No. 159981-19-8

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