HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → HCID 68648282, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | B-(1E)-1-Hexenylboronic acid | HCID 5326225 | — |
| Reactant | HCID 57470629 | HCID 57470629 | — |
| Solvent | Diethyl Ether | HCID 3283 | — |
| Product | HCID 68648282 | HCID 68648282 | 51% |
Reaction Steps
Prepared from the product of step A and (E)-1-hexeneboronic acid according to general procedure 2. The free base was converted to the HCl salt with 2N HCl in Et2O to provide the title compound (61 mg, 51%) as a brown solid; 1H NMR (500 MHz, CD3OD) δ 7.87 (s, 1H), 7.85 (d, J=9.8 Hz, 1H), 7.15 (,J=9.8 Hz, 1H), 6.93 (dt, J=7.0, 16.2 Hz, 1H), 6.66 (d, J=16.2 Hz, 1H), 3.62 (t, J=6.5 Hz, 2H), 3.43 (t, J=7.0 Hz, 2H), 2.37-2.32 (m, 2H), 1.82-1.76 (m, 2H), 1.69-1.64 (m, 2H), 1.56-1.50 (m, 2H), 1.47-1.41 (m, 2H), 0.96 (t, J=7.3 Hz, 3H); 13C NMR (125 MHz, CD3OD) δ 157.1, 139.1, 133.3, 130.1, 120.9, 120.7, 117.7, 114.3, 62.6, 42.6, 34.2, 32.3, 31.2, 25.9, 23.3, 14.3; HPLC tR=11.2 min (Luna), 98.3%; ES-MS: (M+H)=289 m/z.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07820670B2 |
| Source dataset | uspto-grants-2010_10 |
| ORD ID | ord-87ccf0e385f54a05a05c9a846103588d |
| Source note | uspto-grants-2010_10 |