HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 253653Erstellt: 25. Oktober 2026
Iodine → ethyl (NZ)-N-(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamate
https://huagongshe.com/reaction/253653
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Iodine | HCID 807 | — |
| Edukt | Ethyl isothiocyanatoformate | HCID 85320 | — |
| Edukt | Sodium Bicarbonate | HCID 516892 | — |
| Edukt | N-(tert-butyl)-N-hexylideneamine | HCID 11829679 | — |
| Edukt | Ether sodium bicarbonate | HCID 23682952 | — |
| Lösungsmittel | Methanol | HCID 887 | — |
| Lösungsmittel | Pyridine | HCID 1049 | — |
| Lösungsmittel | Diethyl Ether | HCID 3283 | — |
| Lösungsmittel | Tetrahydrofuran | HCID 8028 | — |
| Produkt | ethyl (NZ)-N-(4-butyl-2-tert-butyl-1,2-thiazol-5-ylidene)carbamate | HCID 87184151 | 67,7% |
Reaktionsschritte
To a solution of Example 1A (4.2 g, 27 mmol) in THF (100 mL) at room temperature under N2 was added O-ethyl carbonisothiocyanatidate (3.55 g, 27 mmol). The reaction mixture was stirred for 1 hour and iodine (6.8 g, 27 mmol), MeOH (100 mL) and pyridine (10 mL) were added. The reaction mixture was stirred for 2 hours. The reaction mixture was poured into saturated NaHCO3/Et2O and stirred for 30 minutes. Additional saturated NaHCO3 and Et2O were added and the organic layer was separated. The aqueous layer was extracted with Et2O (2×) and combined organics were dried (MgSO4) and concentrated in vacuo. Toluene and acetonitrile were added and evaporated to remove water and pyridine. The crude compound was purified by flash chromatography using 0-100% EtOAc in hexane as eluent to give 5.2 g of the title compound as yellow solid. 1H NMR (300 MHz, CDCl3) δ ppm 0.93 (t, J=7.3 Hz, 3H), 1.27-1.47 (m, 5H), 1.54-1.73 (m, 11H), 2.59-2.74 (m, 2H), 4.28 (q, J=7.1 Hz, 2H), 7.78 (s, 1H). MS (DCI/NH3) m/z 285 (M+H)+.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US07872033B2 |
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| Quelldatensatz | uspto-grants-2011_01 |
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| ORD ID | ord-9d9dab8647a74fe29d2f1d43f029f11c |
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| Quellennotiz | uspto-grants-2011_01 |
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