HuagongsheHuagongshe Chemistry Print Report · For research reference only
ethyl 5-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methylthiophene-2-carboxylate → 3-methyl-5-(1-(4-(methylsulfonyl)benzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)thiophene-2-carboxylic acid
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | ethyl 5-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methylthiophene-2-carboxylate | HCID 58031537 | — |
| Reactant | ethyl 3-methyl-5-(1-(4-(methylsulfonyl)benzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)thiophene-2-carboxylate | HCID 58031651 | — |
| Product | 3-methyl-5-(1-(4-(methylsulfonyl)benzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)thiophene-2-carboxylic acid | HCID 59481244 | 74% |
Reaction Steps
Following the procedure as described in Example 30, making variations as required to replace ethyl 5-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-3-methylthiophene-2-carboxylate with ethyl 3-methyl-5-(1-(4-(methylsulfonyl)benzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)thiophene-2-carboxylate, the title compound was obtained as a beige solid in 74% yield: 1H NMR (300 MHz, DMSO-d6) δ 13.02 (br s, 1H), 8.79 (s, 1H), 7.92 (d, J=7.1 Hz, 2H), 7.56 (d, J=7.1 Hz, 2H), 7.29 (s, 1H), 5.11 (s, 2H), 3.20 (s, 3H), 2.47 (s, 3H); MS (ES−) m/z 392.2 (M−1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08063084B2 |
| Source dataset | uspto-grants-2011_11 |
| ORD ID | ord-e77f9833885244ef808b3443b0e66327 |
| Source note | uspto-grants-2011_11 |