4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid

Product Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid
CAS No.: 864725-62-2
Chemical Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid
Synonyms: 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid;Fluralaner-024;Fluralaner Impurity 3;Fluralaner Impurity 2;Fluralaner Impurity 6;Flurellana Impurity 4;Fluralaner N-1 intermediate;Intermediate of FluralanerⅢ;Chemical Formula: C18H12Cl2F3NO3 Molecular Weight: 418.19;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid
CBNumber: CB43364743
Molecular Formula: C18H12Cl2F3NO3
Formula Weight: 418.19
MOL File: 864725-62-2.mol

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4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid Property

Boiling point:: 511.3±60.0 °C(Predicted)
Density: 1.49±0.1 g/cm3(Predicted)
storage temp.: 2-8°C Refrigerator
pka: 3.61±0.25(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C18H12Cl2F3NO3/c1-9-4-10(2-3-14(9)16(25)26)15-8-17(27-24-15,18(21,22)23)11-5-12(19)7-13(20)6-11/h2-7H,8H2,1H3,(H,25,26)
InChIKey: KBWVSPGZOPXKRR-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(C2CC(C3=CC(Cl)=CC(Cl)=C3)(C(F)(F)F)ON=2)C=C1C

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Hazard and Precautionary Statements (GHS)

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4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid Chemical Properties,Usage,Production

Uses

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid is an organic intermediate compound used in the synthesis of Fluralaner.

Synthesis

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid is prepared by the reaction of 2-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid and 3-bromo-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole. The steps are as follows:
In a 100 mL three-necked flask, under nitrogen protection, add 3-bromo-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole (700 mg, 1.93 mmoL), 2-methyl-4-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)benzoic acid (560 mg, 2.14 mmoL), potassium acetate (379 mg, 3.86mmol), 1,4-dioxane (15mL), water (1.5mL) and Pd(dppf)Cl2 (141mg, 0.19mmol), incubate the reaction at 85±5 for 8h, stop heating to room temperature, then Water (50 mL) was added to quench and then extracted with dichloromethane (45 mL×2), the organic phases were combined, the organic phase was washed once with saturated brine (50 mL), and then the organic phase was washed with anhydrous sodium sulfate (10.0 g). ) was dried for 2 h, the organic phase was concentrated to dryness under reduced pressure, and the concentrated residue was purified by silica gel column chromatography (developing solvent: n-heptane/ethyl acetate=10:1-3:1) to obtain 4-(5-(3 ,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid (694 mg, 86%) as a pale yellow solid.

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid Suppliers

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Shanghai Joiny Pharmaceutical Co.,LTD

Product: 4-(5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid 864725-62-2
Price: US $0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 1000kg
Release date: 2025-09-22

Henan Aochuang Chemical Co.,Ltd.

Product: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid 864725-62-2
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-30

Shaanxi Dideu New Materials Co. Ltd

Product: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid 864725-62-2
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 10000KGS
Release date: 2025-02-17

864725-62-2, 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acidRelated Search:

1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene 2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride Fluralaner Impurity 5 3-(4-bromo-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole Fluralaner Impurity 4 Fluralaner 3',5'-DICHLORO-2,2,2-TRIFLUOROACETOPHENONE

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid

4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid

Fluralaner Impurity 2

Fluralaner Impurity 3

Fluralaner-024

Fluralaner Impurity 6

Fluralaner N-1 intermediate

Benzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-

4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-3-isoxazolyl]-2-methylbenzoic Acid

Chemical Formula: C18H12Cl2F3NO3 Molecular Weight: 418.19

Intermediate of FluralanerⅢ

Flurellana Impurity 4

4-[5-(3,5-Dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methylbenzoic acid

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazoloxazol-3-yl]-2-methylbenzoic acid

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid

864725-62-2

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