HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isovaleryl chloride → HCID 57965039, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isovaleryl chloride | HCID 66054 | — |
| Reactant | 4-(4-methanesulfonyl-phenoxy)-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine trifluoroacetate salt | HCID 66915326 | — |
| Product | HCID 57965039 | HCID 57965039 | — |
Reaction Steps
1-{4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-3-methyl-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 isovaleryl chloride (available from Aldrich Chemical Company, Inc., Milwaukee, Wis., USA). 1H NMR (400 MHz, DMSO-d6) δ 0.93 (d, 6H, J=6.2 Hz), 1.93-2.06 (m, 4H), 2.25-2.28 (m, 2H), 2.80-2.85 (m, 1H), 3.30 (methyl sulfonyl and water peak), 4.04-4.08 (m, 1H), 4.54-4.58 (m, 1H), 5.06-5.10 (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+=458.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08188098B2 |
| Source dataset | uspto-grants-2012_05 |
| ORD ID | ord-6dde241a7b214d2795cf9e924d72fc17 |
| Source note | uspto-grants-2012_05 |