Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Celecoxib | HCID 2662 | — |
| Reactant | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | HCID 86605546 | HCID 86605546 | — |
Reaction Steps
To solid celecoxib (127 mg; 0.333 mmol) was added N-methyl-2-pyrrolidone (0.75 mL) to give a white suspension. The mixture was heated to 75 degrees C. and held at this temperature for 3 minutes at which point the solid dissolved to give a colorless solution. The solution was cooled to room temperature and then cooled to 5 degrees C. for three days. After three days, colorless hexagonal crystals had formed. The mother liquor was decanted and the solid was suspended in pentane (2 mL) and filtered. The solid was air dried and collected. The solid was found to be a 1:1 N-Methyl-2-pyrrolidone (NMP) solvate of celecoxib.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08362062B2 |
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| Source dataset | uspto-grants-2013_01 |
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| ORD ID | ord-adf245e43a8a4cad827432e06d97e692 |
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| Source note | uspto-grants-2013_01 |
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