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{2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid(CAS: 317318-70-0)

{2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
CAS Number

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Basic Information

Molecular Formula
C21H18F3NO3S2
Molecular Weight
453.51 g/mol

Physical Properties

Melting Point
134-136°C
Boiling Point
584.5°C at 760 mmHg
Density
1.426
Flash Point
307.321 °C

Chemical Identifiers

SMILES
OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F
InChIKey
YDBLKRPLXZNVNB-UHFFFAOYSA-N

Database References

MDL Number
MFCD09033000

FAQ

The compound has a molecular weight of approximately 554.58 g/mol. It is a solid with a crystalline form. Solubility in water is low, around 0.1 g/L at 25°C. It shows moderate reactivity under basic conditions but is stable under neutral and acidic conditions. This compound is not flammable, but it can react with strong oxidizing agents.
The compound is synthesized using a multi-step reaction involving the coupling of a thiazole derivative with a phenol derivative, followed by acetylation. Common synthetic methods include the use of catalytic conditions with palladium complexes and base. The reaction yields are generally around 70-80%, with high selectivity for the desired product.
This compound is primarily used in the pharmaceutical industry for its potential as a therapeutic agent. It may also have applications in polymer chemistry for developing specialized materials, and in chemical sensor technology for its reactivity with specific analytes.
When handling this compound, use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work within a fume hood to minimize inhalation risks. Spills should be handled using absorbent materials and cleaned up with caution. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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

Wu Huiyong

Email

3239311947@qq.com