HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl isocyanate → HCID 69018805, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Ethyl isocyanate | HCID 8022 | — |
| Reactant | HCID 86636141 | HCID 86636141 | — |
| Product | HCID 69018805 | HCID 69018805 | 77% |
Reaction Steps
The desired compound was prepared according to the procedure of Example A9, step H using N-[6-chloro-2,4,8,22-tetraazatetracyclo[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 bis(trifluoroacetate) and isocyanato-ethane as starting materials in 77% yield. 1H NMR (300 MHz, DMSO-d6): δ 9.65 (s, 1H), 9.60 (s, 1H), 9.30 (s, 1H), 8.20 (s, 1H), 7.92 (s, 1H), 7.73 (s, 1H), 7.24 (d, 1H), 7.12 (m, 1H), 7.04 (d, 1H), 6.87 (d, 1H), 6.80 (d, 1H), 6.40 (s, 1H), 3.92 (d, 2H), 3.01 (m, 2H), 2.90 (m, 4H), 2.62 (m, 2H), 2.28 (d, 2H), 1.92 (m, 1H), 1.61 (m, 2H), 1.12 (m, 2H), 1.00 (t, 3H). LCMS for C28H33ClN7O2 (M+H)+: m/z=534.2.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871753B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-66581682c7e548b0b571c19c72663a0f |
| Source note | uspto-grants-2014_10 |