HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isoxazole-5-carbonyl chloride → HCID 86636176, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isoxazole-5-carbonyl chloride | HCID 2736707 | — |
| Reactant | N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide tris(trifluoroacetate) | HCID 86636131 | — |
| Product | HCID 86636176 | HCID 86636176 | 59% |
Reaction Steps
The desired compound was prepared according to the procedure of Example A20, using N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide tris(trifluoroacetate) and isoxazole-5-carbonyl chloride as starting materials in 59% yield. 1H NMR (300 MHz, DMSO-d6): δ 9.50 (d, 2H), 9.16 (s, 1H), 8.83 (s, 1H), 8.40 (s, 2H), 8.33 (s, 1H), 7.78 (s, 1H), 7.40 (d, 1H), 7.19 (d, 1H), 7.00 (s, 1H), 4.52 (m, 1H), 3.88 (m, 1H), 3.32 (m, 1H), 3.03 (s, 4H), 2.42 (m, 2H), 2.21 (m, 1H), 1.93 (m, 2H), 1.39 (m, 2H). LCMS for C28H28ClN8O3 (M+H)+: m/z=559.2.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871753B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-ff468ecd418f4beaa5764b325e195fdb |
| Source note | uspto-grants-2014_10 |