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| | Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) Basic information |
| Product Name: | Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) | | Synonyms: | 2-t-butoxycarbonylamino-1,3-thiazole;Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI);N-Boc-2-AMinothiazole;2-(tert-ButoxycarbonylaMino)thiazole;1-(Boc-aMino)thiazole, 97%;2-(Boc-aMino)thiazole, 97%;Thiazol-2-yl-carbaMic acid tert-butyl ester;N-Boc-2-thiazolamine | | CAS: | 170961-15-6 | | MF: | C8H12N2O2S | | MW: | 200.26 | | EINECS: | | | Product Categories: | N-BOC | | Mol File: | 170961-15-6.mol |  |
| | Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) Chemical Properties |
| Melting point | 180-185℃ | | density | 1.242±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | 5.25±0.70(Predicted) | | Appearance | Light yellow to brown Solid | | InChI | InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11) | | InChIKey | NCJXQSNROJRSSL-UHFFFAOYSA-N | | SMILES | C(OC(C)(C)C)(=O)NC1=NC=CS1 |
| Hazard Codes | Xn | | Risk Statements | 22-43 | | Safety Statements | 36/37 | | WGK Germany | 3 |
| | Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) Usage And Synthesis |
| Synthesis | General procedure for the synthesis of tert-butyl thiazole-2-carbamate from 2-aminothiazole and di-tert-butyl dicarbonate: tert-butyl dicarbonate (27.5 ml, 119.9 mmol) was added to a tetrahydrofuran solution (20 ml) of 2-aminothiazole (10.0 g, 99.9 mmol) and the reaction mixture was stirred for 16 hours at room temperature. After completion of the reaction, the solvent was removed by distillation under reduced pressure to give the crude product. The crude product was recrystallized in hexane to give tert-butyl thiazole-2-carbamate (19.25 g, 96% yield) as colorless crystals. The melting point of the product was 181.5-182.5 °C, 1H NMR (300 MHz, CDCl3) δ 1.60 (9H, s), 6.88 (1H, d, J = 3.7 Hz), 7.38 (1H, d, J = 3.7 Hz), 11.9 (1H, s); IR (Nujol) 1713 cm-1; APCI-MS m/z 201 [M + H]+. | | References | [1] Organic letters, 2002, vol. 4, # 24, p. 4209 - 4212
[2] Patent: EP2103611, 2009, A1. Location in patent: Page/Page column 59-60
[3] New Journal of Chemistry, 2018, vol. 42, # 12, p. 10142 - 10147
[4] Patent: US5627198, 1997, A
[5] Patent: WO2011/58149, 2011, A1. Location in patent: Page/Page column 127 |
| | Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials |
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