HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trifluoroacetic acid → HCID 56645677, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 56645458 | HCID 56645458 | — |
| Reactant | HCID 58054354 | HCID 58054354 | — |
| Product | HCID 56645677 | HCID 56645677 | — |
Reaction Steps
The compound was prepared from tert-butyl 3-(2-chloro-9-methyl-6-morpholino-9H-purin-8-yloxy)azetidine-1-carboxylate in a similar manner as that of 4-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-(piperidin-4-yloxy)-9H-purin-6-yl)morpholine, following General Procedures of Buchwald coupling shown in Scheme 3 and Boc-deprotection. The compound was used either as a mixture with unknown equivalent of trifluoroacetic acid or as a free base after treatment with aqueous base. Free base: 1H NMR (400 MHz, CDCl3) δ 7.96 (d, J=8.9 Hz, 1H), 7.74 (d, J=8.1 Hz, 1H), 5.66-5.54 (m, 1H), 4.22 (s, 4H), 4.08-3.99 (m, 2H), 3.94-3.79 (m, 6H), 3.63 (s, 3H), 3.40-3.25 (m, 3H), 1.43 (t, J=7.5 Hz, 3H). LCMS: M+H+=435.2.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08293736B2 |
| Source dataset | uspto-grants-2012_10 |
| ORD ID | ord-7646335b4af247709f4f110fa5dde0b8 |
| Source note | uspto-grants-2012_10 |