HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,5-Dimethylisoxazole-4-isocyanate → N-Benzyl-4-(2-{[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]amino}-2-oxoethyl)piperidine-1-carboxamide bis(trifluoroacetate)
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3,5-Dimethylisoxazole-4-isocyanate | HCID 2736266 | — |
| 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 | N-Benzyl-4-(2-{[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]amino}-2-oxoethyl)piperidine-1-carboxamide bis(trifluoroacetate) | HCID 86636130 | 30% |
Reaction Steps
The desired compound was prepared according to the procedure of Example A9, step H 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 4-isocyanato-3,5-dimethylisoxazole as starting materials in 30% yield. LCMS for C30H33ClN9O3 (M+H)+: m/z=602.2.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871753B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-50efc4002b0849fcbd01c21137d548f3 |
| Source note | uspto-grants-2014_10 |