Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Methanol | HCID 887 | — |
| Reactant | Acetyl chloride | HCID 6367 | — |
| Reactant | Ertugliflozin | HCID 44814423 | — |
| Solvent | 2,4,6-Trimethylpyridine | HCID 7953 | — |
| Product | Ertugliflozin Impurity 11 | HCID 52931642 | 87% |
Reaction Steps
To a vigorously stirred solution of (1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol (1A, 0.481 g, 1.1 mmol) in collidine (2.5 mL) cooled to −35 degrees Celsius was added drop-wise over 10 minutes acetyl chloride (0.149 mL, 2.1 mmol). After 1 hour, methanol (0.5 mL) was added and the reaction mixture was allowed to warm to room temperature. The crude mixture was concentrated under reduced pressure and codistilled three times with toluene. The crude material was purified by flash chromatography over silica gel using the biotage automated chromatography unit (50 g silica gel column) and eluting with a gradient of 0 to 15% methanol in dichloromethane. 456 mg (87% yield) of product obtained as a white solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09439902B2 |
|---|
| Source dataset | uspto-grants-2016_09 |
|---|
| ORD ID | ord-43ed82097a2f4b8e9ddeac81dbdf91d5 |
|---|
| Source note | uspto-grants-2016_09 |
|---|