HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-[5-(2-cyanopropan-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea → n-[(1r)-5-(1-Cyano-1-methylethyl)-2,3-dihydro-1h-inden-1-yl]-n'-1h-indazol-4-ylurea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-[5-(2-cyanopropan-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea | HCID 67187305 | — |
| Solvent | Methanol | HCID 887 | — |
| Product | n-[(1r)-5-(1-Cyano-1-methylethyl)-2,3-dihydro-1h-inden-1-yl]-n'-1h-indazol-4-ylurea | HCID 11164247 | — |
Reaction Steps
The title compound was prepared by chiral separation of the corresponding racemic compound 1-[5-(cyano-isopropyl)-indan-1-yl]-3-(1H-indazol-4-yl)-urea (Ex. 57E) using a chiral column ChiralCel OD. [α]D: +35.4° (c: 1.04, MeOH). MS (ESI) m/z: 360.07 [M+H]+. 1H NMR (DMSO-d6) □: 1.69 (s, 6H), 1.87 (m, 1H), 2.47 (m, 1H), 2.89 (m, 1H), 2.98 (m, 1H), 5.19 (q, 1H), 6.73 (d, 1H), 7.08 (d, 1H), 7.22 (t, 1H), 7.39 (s, 2H), 7.44 (s, 1H), 7.66 (d, 1H), 8.04 (s, 1H), 8.59 (s, 1H), 13.00 (s, 1H). Anal Calcd for C21H21N5O.0.3H2O: C, 69.14; H, 5.97; N, 19.20. Found: C, 69.08; H, 5.95; N, 19.31.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08071762B2 |
| Source dataset | uspto-grants-2011_12 |
| ORD ID | ord-61c35c9d5acf4662bd1de24f3c31c9ff |
| Source note | uspto-grants-2011_12 |