4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide | CAS No. 864731-61-3

4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide

Basic Information

CAS Number

864731-61-3

Molecular Formula

C22H17Cl2F6N3O3

Molecular Weight

556.29 g/mol

AD

Basic Physical Properties

CC1=C(C=CC(=C1)C1=NOC(C1)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F

InChI

InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)

InChIKey

MLBZKOGAMRTSKP-UHFFFAOYSA-N

LogP

5.292320000000004

Topological Polar Surface Area

79.78999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Synonyms & References

English

  • 4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
  • Fluralaner
  • A1443
  • AH252723
  • 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methyl-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)benzamide

MDL Number

MFCD30533410

FAQ

What are the physical and chemical properties of 4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide (CAS: 864731-61-3)?

The compound is a white crystalline solid with a molecular weight of approximately 634.13 g/mol. It is sparingly soluble in water but more soluble in organic solvents like methanol and acetonitrile. Chemically, it is highly reactive towards nucleophiles and bases. It has good stability under acidic conditions but can degrade under basic conditions.

How is 4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide (CAS: 864731-61-3) typically synthesized?

The compound is synthesized through a multi-step process involving the reaction of 3,5-dichlorophenyl trifluoromethyl oxazolone with a benzamide derivative. The synthesis involves the use of anhydrous solvents, mild base catalysis, and careful temperature control. The overall yield is around 60-70% and the product is isolated through column chromatography.

What industries use 4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide (CAS: 864731-61-3)?

The compound is used in the pharmaceutical industry as an intermediate in the synthesis of complex heterocyclic compounds. It is also utilized in the development of new materials for sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}benzamide (CAS: 864731-61-3)?

Safety precautions include the use of personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. Handling should be done in a well-ventilated fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed safety information.

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