HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phenoxyacetic Acid → HCID 178420517, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Phenoxyacetic Acid | HCID 19188 | — |
| Reactant | Phosphorus oxychloride | HCID 24813 | — |
| Reactant | Lawesson's reagent | HCID 87949 | — |
| Reactant | 1H-benzimidazole-5-carbohydrazide | HCID 16637119 | — |
| Product | HCID 178420517 | HCID 178420517 | — |
Reaction Steps
The compound was synthesized starting from phenoxyacetic acid (153 mg; 1 mmol), benzimidazol-5-carbohydrazide (176 mg; 1 mmol), Lawesson's reagent (606 mg; 1.5 mmol) and POCl3 (0.137 ml; 1.5 mmol) as described in method 3; yield: 0.031 g (10.1%); MS m/z: 309.0 [M+H]+; 1H-NMR (DMSO d6, 400 MHz): δ 5.64 (s, 2H); 6.99-7.03 (m, 1H); 7.09-7.12 (m, 2H); 7.32-7.36 (m, 2H); 7.84 (d, 1H, 3J=8.3 Hz); 7.98 (dd, 1H, 4J=1.7 Hz, 3J=8.3 Hz); 8.31 (d, 1H, 4J=1.7 Hz); 8.90 (s, 1H); HPLC (METHOD [A]): rt 12.07 min (95.9%)
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09181233B2 |
| Source dataset | uspto-grants-2015_11 |
| ORD ID | ord-3fc85561f6d447c8ac44b363e4852e4f |
| Source note | uspto-grants-2015_11 |