HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → 2-(3,4-Dichlorophenyl)-3-(1H-imidazol-4-yl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-propan-1-one
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | 4-(Piperazin-1-yl)-1H-pyrrolo[2,3-d]pyrimidine dihydrochloride | HCID 67537856 | — |
| Reactant | 2-(3,4-Dichlorophenyl)-3-(1H-imidazol-4-yl)-propionic acid | HCID 178525357 | — |
| Solvent | Diethyl Ether | HCID 3283 | — |
| Product | 2-(3,4-Dichlorophenyl)-3-(1H-imidazol-4-yl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-propan-1-one | HCID 178520510 | — |
Reaction Steps
2-(3,4-Dichlorophenyl)-3-(1H-imidazol-4-yl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-propan-1-one was prepared by substituting 5-piperazin-1-yl-1H-indazole with 4-Piperazin-1-yl-7H-pyrrolo[2,3-d]pyrimidine dihydrochloride and substituting (D)-Boc-4-chlorophenylalanine with 2-(3,4-Dichlorophenyl)-3-(1H-imidazol-4-yl)-propionic acid in Example B-1, Step 2. The free amine was converted to HCl salt by treatment with HCl in Ether. 1H NMR (CD3OD, 400 MHz) δ 8.76 (s, 1H), 8.32 (s, 1H), 7.52 (m, 2H), 7.38 (s, 1H), 7.29 (m, 2H), 6.92 (s, 1H), 4.58 (m, 1H), 3.70-4.20 (m, 7H), 3.63 (m, 1H), 3.43 (m, 1H), 3.16 (m, 1H). LCMS (APCI+) m/z 470, 472, 474 [M+H]+; Rt=2.15 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08680114B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-2763e08bc5874f889cb958ccb1dff582 |
| Source note | uspto-grants-2014_03 |