HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isopropyl isocyanate → HCID 67030769, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isopropyl isocyanate | HCID 61277 | — |
| Reactant | HCID 58271024 | HCID 58271024 | — |
| Product | HCID 67030769 | HCID 67030769 | 55% |
Reaction Steps
Following general method 4, employing 3-amino-1-(3-fluorophenyl)-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester and isopropyl isocyanate, afforded the title compound as an off-white solid (0.150 g, 55%); LCMS (method B): RT=3.77 min, M+H+=334; 1H NMR (CDCl3, 300 MHz): 8.35 (s, 1H), 7.62 (d, J=2.7 Hz, 1H), 7.45 (d, J=2.7 Hz, 1H), 7.38 (dt, J=8.2, 6.2 Hz, 1H), 7.22 (ddd, J=8.2, 2.3, 0.9 Hz, 1H), 7.15 (dt, J=9.9, 2.3 Hz, 1H), 6.98 (tdd, J=8.2, 2.3, 0.9 Hz, 1H), 4.52 (br. s, 1H), 4.31 (q, J=7.1 Hz, 2H), 3.94 (br. s, 1H), 1.37 (t, J=7.1 Hz, 3H), 1.22 (d, J=6.5 Hz, 6H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08410279B2 |
| Source dataset | uspto-grants-2013_04 |
| ORD ID | ord-b0fc9d0e5bc44c6093f661d19d6b3748 |
| Source note | uspto-grants-2013_04 |