181696-73-1

Basic information

• Product Name: 5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL
• Synonyms: 5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL;4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol;5-Isoxazolol,4,5-dihydro-5-Methyl-3,4-diphenyl-;(5S)-5-Methyl-3,4-diphenyl-4,5-dihydroisoxazol-5-ol;Parecoxib SodiuM IMpurity U;Parecoxib Impurity 3;Parecoxib Impurity 19
• CAS NO: 181696-73-1
• Molecular Formula: C₁₆H₁₅NO₂
• Molecular Weight: 253.3
• EINECS: 443-400-4
• Product Categories: Aromatics;Heterocycles
• Mol File: 181696-73-1.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 401℃
• Flash Point: 196℃
• Appearance: /
• Density: 1.16
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.598
• Storage Temp.: 2-8°C
• PKA: 12.97±0.60(Predicted)
• CAS DataBase Reference: 5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL(181696-73-1)
• EPA Substance Registry System: 5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL(181696-73-1)

Safety Data

• Hazardous Substances Data: 181696-73-1(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

Intermediate for the preparation of Valdecoxib

InChI:InChI=1/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3

Upstream product

• 42353-58-2 1-(1,2-diphenyl-vinyl)-pyrrolidine 
• 451-40-1 phenyl benzyl ketone 
• 952-06-7 deoxybenzoin oxime 
• 108-24-7 acetic anhydride 
• 141-78-6 ethyl acetate 

Downstream Products

• 181695-81-8 4-(5-hydroxymethyl-3-phenylisoxazol-4-yl)benzenesulfonamide 
• 181696-23-1 4-[3-phenyl-5-(3,3,3-trifluoro-2-oxopropyl)isoxazol-4-yl]benzenesulfonamide 
• 181697-33-6 [[4-[3-phenyl-5-(3,3,3-trifluoro-2-oxopropyl)isoxazol-4-yl]phenyl]sulfonyl]-carbamic acid, 1,1-dimethylethylester 
• 181697-32-5 [[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl]-carbamic acid, 1,1-dimethylethylester 
• 198470-84-7 parecoxib 
• 181695-72-7 valdecoxib 
• 1709956-95-5 [3-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl chloride 
• 509074-26-4 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride 
• 775344-72-4 (3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole) 
• 74048-23-0 3,4-diphenyl-5-ethylisoxazole 
• 37928-17-9 5-methyl-3,4-diphenyl isoxazole 

Relevant articles and documents

A process for the preparation of sodium compound handkerchief auspicious past cloth and wherein the intermediate impurity, preparation method and application

The invention provides parecoxib sodium which is prepared by controlling an intermediate impurity and in particular provides a preparation method of a parecoxib sodium compound as well as the intermediate impurity and an application of the parecoxib sodium compound. According to the preparation method provided by the invention, 3-methyl-4,5-diphenyl-4,5-dihydro-isoxazole-5-alcohol is used as an isomer impurity for preparing 5-methyl-3,4-diphenyl-4,5-dihydro-isoxazole-5-alcohol as an intermediate of the parecoxib sodium, the quality of the 3-methyl-4,5-diphenyl-4,5-dihydro-isoxazole-5-alcohol is controlled in the preparation of the parecoxib sodium, specifically, the impurity content is required not to be higher than 0.5 percent, and an important significance is provided for the product quality of the parecoxib sodium; by obtaining the 3-methyl-4,5-diphenyl-4,5-dihydro-isoxazole-5-alcohol as an isomer impurity of the important 5-methyl-3,4-diphenyl-4,5-dihydro-isoxazole-5-alcohol and further studying 3-methyl-4,5-diphenyl-4,5-dihydro-isoxazole-5-alcohol in the aspects of preparation process, detection process and purification process, important quality monitoring significance is provided for the process with the 5-methyl-3,4-diphenyl-4,5-dihydro-isoxazole-5-alcohol as an industrial production raw material.

METHOD FOR THE PREVENTION OR TREATMENT OF PAIN, INFLAMMATION, AND INFLAMMATION-RELATED DISORDERS WITH A COX-2 SELECTIVE INHIBITOR IN COMBINATION WITH A NITRIC OXIDE-DONATING AGENT AND COMPOSITIONS THEREWITH

Methods and compositions are described for the prevention or treatment of pain, inflammation, and inflammation-related disorders in a subject in need of such prevention or treatment, the method comprising administering to the subject a cyclooxygenase-2 selective inhibitor in combination with a nitric oxide-donating agent. Also described are therapeutic and pharmaceutical compositions and kits that are useful in the present invention.

Crystalline parecoxib sodium

Parecoxib sodium is provided in a crystalline form that is substantially anhydrous and substantially nonsolvated. Various such anhydrous, nonsolvated crystal forms have been identified, including Forms A, B and E as described herein. Also provided is a parecoxib sodium drug substance wherein at least about 90% of the parecoxib sodium is in one or more anhydrous, nonsolvated crystal forms. Such a drug substance is a storage-stable intermediate that can be further processed, for example by dissolution or slurrying in an aqueous medium together with one or more parenterally acceptable excipients, followed by lyophilization of the resulting solution or slurry to provide a reconstitutable injectable composition suitable for therapeutic use.