HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isopropyl isocyanate → HCID 86636163, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isopropyl isocyanate | HCID 61277 | — |
| 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 86636163 | HCID 86636163 | 58% |
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 2-isocyanatopropane as starting materials in 58% yield. 1H NMR (300 MHz, DMSO-d6): δ 10.08 (s, 1H), 9.40 (m, 2H), 9.05 (s, 1H), 8.33 (m, 2H), 8.20 (s, 1H), 7.63 (m, 1H), 7.30 (m, 1H), 7.09 (m, 1H), 6.09 (m, 1H), 3.92 (m, 2H), 3.75 (m, 1H), 2.97 (s, 4H), 2.62 (m, 2H), 2.28 (m, 2H), 1.91 (m, 1H), 1.64 (m, 2H), 1.09 (m, 2H), 1.00 (d, 6H). LCMS for C28H34ClN8O2 (M+H)+: m/z=549.2.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871753B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-89300c6368584a09b988ee5986bc4bb9 |
| Source note | uspto-grants-2014_10 |