HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(3-chloro-propyl)-6-nitro-3H-benzoxazol-2-one → 3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid isopropyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-(3-chloro-propyl)-6-nitro-3H-benzoxazol-2-one | HCID 67263654 | — |
| Solvent | Isopropanol | HCID 3776 | — |
| Product | 3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid isopropyl ester | HCID 67264272 | — |
Reaction Steps
3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid isopropyl ester was prepared from 3-(3-chloro-propyl)-6-nitro-3H-benzoxazol-2-one and isopropyl alcohol in an analogous manner to Example 1426a. Product isolated as a yellow oil (413 mg, 63%). LCMS (m/e) 281 (M+H); 1H-NMR (CDCl3, 400 MHz) δ 7.89-7.81 (m, 2H), 7.55-7.35 (m, 1H), 5.10-4.96 (m, 1H), 4.24 (t, 2H, J=5.5 Hz), 3.85 (t, 2H, J=5.6 Hz), 2.20-2.09 (m, 2H), 1.27 (d, 6H, J=5.7 Hz).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08148391B2 |
| Source dataset | uspto-grants-2012_04 |
| ORD ID | ord-0b815f4d05a3448fa3e366af2db421e2 |
| Source note | uspto-grants-2012_04 |