CAS 181695-72-7 | VALDECOXIB
Molecular Formula: C16H14N2O3S
Molecular Weight: 314.36
EINECS: 803-082-3
Purity: 97% Min.
Package: 1 g / 5 g / 25 g / 100 g / 1 kg / 25 kg
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Product Introduction
Specification of CAS 181695-72-7 | VALDECOXIB
ITEMS | SPECIFICATION |
Melting point | 162-164°C |
InChIKey | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
Storage temp. | room temp |
Solubility | DMSO |
Color | white to off-white |
Form | powder |
Density | 1.303 g/cm3 |
Boiling point | 481.2 °C |
pka | 9.83 |
CAS DataBase Reference | 181695-72-7(CAS DataBase Reference) |
Synthesis of CAS 181695-72-7 | VALDECOXIB

Conditions
Stage #1: 3,4-diphenyl-4-hydrido-5-hydroxy-5-methylisoxazole With chlorosulfonic acid; trifluoroacetic acid In water; toluene at 25 - 60℃; for 1h;
Stage #2: With ammonium hydroxide In isopropyl alcohol at 20 - 35℃; for 2.5h; pH=9;
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