HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Hexanol → HCID 66800178, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-Hexanol | HCID 8103 | — |
| Reactant | 3-{[(5-Chloro-3-methyl-1-benzothien-2-yl)sulfonyl]amino}benzoic acid | HCID 56941306 | — |
| Product | HCID 66800178 | HCID 66800178 | 71% |
Reaction Steps
The product was prepared from 3-{[(5-chloro-3-methyl-1-benzothien-2-yl)sulfonyl]amino}benzoic acid (21 mg, 0.055 mmol) (Intermediate 19) and 1-hexanol (10.2 mg, 0.100 mmol) according to the General Procedure 7, described in Example 107. The title compound was obtained in 71% yield (18.3 mg). 1H NMR (500 MHz, CDCl3) δ ppm 0.87-0.93 (m, 3 H) 1.27-1.36 (m, 4 H) 1.35-1.43 (m, 2 H) 1.65-1.74 (m, 2 H) 2.45 (s, 3 H) 4.26 (t, J=6.71 Hz, 2 H) 6.85 (s, 1 H) 7.36 (dd, J=8.08, 7.68 Hz, 1 H) 7.42 (ddd, J=8.08, 2.35, 1.28 Hz, 1 H) 7.44 (dd, J=8.69, 1.95 Hz, 1 H) 7.71 (dd, J=8.69, 0.55 Hz, 1 H) 7.71-7.72 (m, 1 H) 7.71 (dd, J=1.95, 0.55 Hz, 1 H) 7.84 (ddd, J=7.68, 1.50, 1.28 Hz, 1 H). MS (ESI+) m/z 466 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09233946B2 |
| Source dataset | uspto-grants-2016_01 |
| ORD ID | ord-556536c7ee254866aaf10197cec581de |
| Source note | uspto-grants-2016_01 |