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3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate(CAS: 66898-62-2)

3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate
CAS Number

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Basic Information

Molecular Formula
C21H13F3N2O4
Molecular Weight
414.34 g/mol

Physical Properties

Melting Point
166.0 to 170.0 deg-C
Boiling Point
[454]
Density
1.49
Flash Point
277.1°C

Chemical Identifiers

SMILES
C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F
InChIKey
ANMLJLFWUCQGKZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00866135
Beilstein Registry Number
0503261

FAQ

3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate is a crystalline solid with a molecular weight of approximately 497.38 g/mol. It is slightly soluble in common organic solvents like DMSO and methanol. The compound is reactive towards nucleophiles and can undergo various transformations. It exhibits good stability under neutral and basic conditions but is sensitive to strong acids.
3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate is synthesized through a multi-step process involving the condensation of 3-(trifluoromethyl)aniline with 3-oxo-1,3-dihydro-2-benzofuran-1-carbaldehyde. The reaction typically requires the use of a catalyst like p-toluenesulfonic acid and is carried out in a polar aprotic solvent. The yield is usually around 70-80%.
3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various bioactive compounds and is also utilized in the development of new materials for sensors and semiconductors.
When handling 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate, ensure the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Conduct reactions in a well-ventilated fume hood to minimize exposure. Spills should be handled with caution by using absorbent materials and rinsing the area with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Manager Liu