HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Isocyanatomethyl)furan → 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]-N'-(2-furylmethyl)urea bis(trifluoroacetate)
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-(Isocyanatomethyl)furan | HCID 4223811 | — |
| Reactant | 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-amine bis(trifluoroacetate) | HCID 86636169 | — |
| Product | 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]-N'-(2-furylmethyl)urea bis(trifluoroacetate) | HCID 86636253 | 34% |
Reaction Steps
The desired compound was prepared according to the procedure of Example B83, using 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-amine bis(trifluoroacetate) and 2-(isocyanatomethyl)furan as the starting materials in 34% yield. LCMS for C23H21ClN7O2(M+H)+: m/z=462.1. 1H NMR (400 MHz, DMSO-d6): δ 9.96 (s, 1H), 9.31 (s, 1H), 8.97 (m, 1H), 8.30 (m, 2H), 8.18 (s, 1H), 7.89 (m, 1H), 7.71 (d, 1H), 7.60 (d, 1H), 7.56 (d, 1H), 6.95-7.02 (m, 2H), 6.41 (dd, 1H), 6.28 (dd, 1H), 4.29 (d, 2H), 2.96 (m, 4H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871753B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-cc83a90d197e4625a8af667c2401acbd |
| Source note | uspto-grants-2014_10 |