HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,3-Dimethylbutanoyl chloride → HCID 57964931, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3,3-Dimethylbutanoyl chloride | HCID 81514 | — |
| Reactant | 4-(4-methanesulfonyl-phenoxy)-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine trifluoroacetate salt | HCID 66915326 | — |
| Product | HCID 57964931 | HCID 57964931 | — |
Reaction Steps
1-{4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-3,3-dimethyl-butan-1-one was prepared according to General Procedure I by the reaction of 4-(4-methanesulfonyl-phenoxy)-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine trifluoroacetate salt (Intermediate 27) with tert-butylacetyl chloride (available from Aldrich Chemical Company, Inc., Milwaukee, Wis., USA). 1H NMR (400 MHz, DMSO-d6) δ 1.02 (s, 9H), 1.93-2.06 (m, 4H), 2.30-2.35 (m, 2H), 2.79-2.84 (m, 1H), 3.30 (methyl sulfonyl and water peak), 4.14-4.17 (m, 1H), 4.59-4.62 (m, 1H), 5.05-5.11 (m, 1H), 7.63-7.65 (m, 2H), 8.05-8.07 (m, 2H), 8.38 (s, 1H), 8.57 (s, 1H). Mass spectrum MH+=472, M+Na=493.9.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08188098B2 |
| Source dataset | uspto-grants-2012_05 |
| ORD ID | ord-2530b9914fdd4e62b12aa9b7dad1c498 |
| Source note | uspto-grants-2012_05 |