5-Methyl-3,4-diphenylisoxazole: Technical Guide
Table of Contents
1. Chemical Profile & Specifications
| Parameter | Specification |
|---|---|
| CAS Number | 37928-17-9 |
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.29 g/mol |
| Appearance | White to off-white crystalline powder |
| HS Code | 2934.99.00 (Heterocyclic compounds) |
2. Key Applications
- Pharmaceutical Intermediate: Critical precursor in Parecoxib sodium production (COX-2 inhibitor)
- Organic Synthesis: Building block for functionalized isoxazole derivatives
- Research Reagent: Used in medicinal chemistry studies for anti-inflammatory drug development
3. Synthesis Methods
Route 1: Deoxybenzoin Oxime Cyclization
Reagents: Deoxybenzoin oxime + Acetic acid
Yield: 56%
Route 2: Parecoxib Intermediate Conversion
Reagents: QC-1530 (CAS 181696-73-1)
Yield: 69%
4. Industry Applications
Pharmaceutical Manufacturing
Used in multi-step synthesis of non-steroidal anti-inflammatory drugs (NSAIDs)
Fine Chemicals
Intermediate for specialty chemicals requiring isoxazole ring functionalization
5. Case Studies
Case 1: Anti-Inflammatory API Production
Client: Top 10 Global Pharma Company
Application: Scaled-up production of Parecoxib sodium (batch size: 500kg)
Result: 98.5% purity achieved with GMP compliance
Case 2: Academic Research
Client: University of California, San Francisco
Application: Development of novel COX-2 inhibitors
Result: Enabled synthesis of 12 structural analogs for biological testing
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