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HomeProduct name list5-Methyl-3,4-diphenylisoxazole

5-Methyl-3,4-diphenylisoxazole

  • CAS NO.:37928-17-9
  • Empirical Formula: C16H13NO
  • Molecular Weight: 235.28
  • MDL number: MFCD18449672
  • EINECS: 1592732-453-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-04 13:44:46
5-Methyl-3,4-diphenylisoxazole Structural

What is 5-Methyl-3,4-diphenylisoxazole?

The Uses of 5-Methyl-3,4-diphenylisoxazole

5-Methyl-3,4-diphenylisoxazole is synthesis The key intermediate of Parecoxib Sodium (Parecoxib Sodium).Parecoxib Sodium is by the Pfizer of the U.S. The cox 2 inhibitor of company's research and development, listed in European Union in 2002, trade name Dynastat, is used for The short term therapy of postoperative pain.

The Uses of 5-Methyl-3,4-diphenylisoxazole

5-Methyl-3,4-diphenylisoxazole is a reagent for the preparation of valdecoxib and valdecoxib analogues.

Synthesis

Synthesis_37928-17-9
In four mouthfuls of round-bottomed flasks of a 1L add compound 2 (40g), methanol (400mL), 7.7% Aqueous sodium carbonate (400mL), is heated to 70 DEG C, after stirring reaction 2h, and TLC plate monitoring raw material Fundamental reaction is complete, and solution is divided into solid-liquid biphase, is extracted with ethyl acetate, collected organic layer, with anhydrous Sodium sulfate is dried, and vacuum obtains white solid, HPLC purity: 94.9% after being spin-dried for.White solid uses 40ml ethyl acetate and the mixed solvent recrystallization of 120ml normal hexane (1:3) again, Obtaining target compound is white solid 34.2g, yield 92%, HPLC purity: 99.7%.m.p.97-98??£? MS(m/z):236(M+H)+£?1H NMR(400MHz,CDCl3) |?:2.43(s,3H,-CH3), 7.19-7.43 (m, 10H ,-CH=).

Properties of 5-Methyl-3,4-diphenylisoxazole

Melting point: 96.0 to 100.0 °C
Boiling point: 340.1±21.0 °C(Predicted)
Density  1.108±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka -2.53±0.50(Predicted)
color  White to Off-White

Safety information for 5-Methyl-3,4-diphenylisoxazole

Computed Descriptors for 5-Methyl-3,4-diphenylisoxazole

InChIKey ZXIRUKJWLADSJS-UHFFFAOYSA-N

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