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1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea(CAS: 1430213-30-1)

1-(4-Fluoro-3-(trifluoromethyl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea
CAS Number

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Basic Information

Molecular Formula
C15H9F4N5OS
Molecular Weight
383.33 g/mol

Chemical Identifiers

SMILES
C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F
InChIKey
WMCOYUSJXXCHFH-UHFFFAOYSA-N

Database References

MDL Number
MFCD24849400

FAQ

The compound is crystalline with a molecular weight of approximately 511.92 g/mol. It has a low water solubility, making it more soluble in organic solvents like DMSO. Chemically, it is stable under normal conditions but reacts with strong acids and bases. The compound exhibits good reactivity towards nucleophiles and electrophiles, commonly observed in urea and thiadiazole functional groups.
This compound is typically synthesized via a multi-step process involving the coupling of 4-fluoro-3-(trifluoromethyl)benzaldehyde, 5-(pyridin-4-yl)-1,3,4-thiadiazole, and urea. The process includes protection and deprotection steps, utilizing catalysts like palladium and amines. The yield is generally good, and the final product is purified by recrystallization or column chromatography.
This compound is primarily used in the pharmaceutical industry due to its potential as a therapeutic agent. It may also find applications in sensor technology and as a component in certain polymer formulations. Its unique chemical properties make it suitable for various research and development activities in these fields.
When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and lab coats. Ensure proper ventilation in the laboratory and use a fume hood during operations. Spills should be cleaned up immediately using appropriate materials, and the material safety data sheet (MSDS) should be consulted for detailed handling procedures. Avoid contact with skin and eyes, and store the compound under dry conditions away from direct sunlight.

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

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