HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178423753, compound → (cis)-4-[7-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]benzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 178423753 | HCID 178423753 | — |
| Reactant | HCID 178461186 | HCID 178461186 | — |
| Solvent | Ethanol | HCID 702 | — |
| Product | (cis)-4-[7-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]benzonitrile | HCID 178461185 | — |
Reaction Steps
(+/−)-(cis/trans)-4-[7-Methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]benzonitrile (0.36 g, 1.52 mmol) and (+/−)-(trans)-4-[7-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]benzonitrile (0.18 g, 0.76 mmol) are combined and the single enantiomers are obtained by chiral chromatography (Chiralpak AD-H, 4.6×150 mm, 100% EtOH 0.2% DMEA, 225 mm) to give (cis)-4-[7-methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]benzonitrile-isomer 2, (0.05 g, 27%) as the second eluting isomer. ES/MS m/z 238 (M+H), Tr=2.988 min. (trans)-4-[7-Methyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]benzonitrile-isomer 4, Example 61 (0.07 g, 19%). ES/MS m/z 238 (M+H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08778984B2 |
| Source dataset | uspto-grants-2014_07 |
| ORD ID | ord-8f9eb791cc60452ea1437e58a1853fba |
| Source note | uspto-grants-2014_07 |