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| | tert-butyl benzo[b]thiophen-2-ylcarbaMate Basic information |
| Product Name: | tert-butyl benzo[b]thiophen-2-ylcarbaMate | | Synonyms: | Benzothiophene-2-carbamic acid tert-butyl ester;tert-butyl benzo[b]thiophen-2-ylcarbaMate;Benzo[b]thien-2-yl-carbamic acid tert-butyl ester;tert-Butyl N-(1-benzothiophen-2-yl)carbamate;Carbamic acid, N-benzo[b]thien-2-yl-, 1,1-dimethylethyl ester | | CAS: | 89673-36-9 | | MF: | C13H15NO2S | | MW: | 249.33 | | EINECS: | | | Product Categories: | | | Mol File: | 89673-36-9.mol | ![tert-butyl benzo[b]thiophen-2-ylcarbaMate Structure](CAS/GIF/89673-36-9.gif) |
| | tert-butyl benzo[b]thiophen-2-ylcarbaMate Chemical Properties |
| Melting point | 100-101 °C(Solv: ethanol (64-17-5)) | | Boiling point | 333.4±15.0 °C(Predicted) | | density | 1.234 | | storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | | pka | 13.52±0.43(Predicted) | | Appearance | Off-white to light yellow Solid |
| | tert-butyl benzo[b]thiophen-2-ylcarbaMate Usage And Synthesis |
| Synthesis | Benzo[b]thiophene-2-carboxylic acid (1-A, 14.4 g, 80.6 mmol) was used as starting material and mixed with N,N-diisopropylethylamine (15.5 mL, 88.6 mmol) and diphenylphosphoryl azide (20.8 mL, 96.7 mmol) in tert-butanol (150 mL). The reaction mixture was heated to reflux for 8 hours. Upon completion of the reaction, the solvent was removed by vacuum evaporation. The resulting residue was purified by silica gel fast column chromatography using dichloromethane as eluent to afford the target product tert-butyl benzo[b]thiophene-2-yl-carbamate (1-B) as a colorless solid (18.9 g, 94% yield). The structure of the product was confirmed by 1H-NMR (DMSO-d6) and mass spectrometry (MS): 1H-NMR (DMSO-d6) δ 1.50 (s, 9H), 6.78 (s, 1H), 7.16 (d, J=7.5Hz, 1H), 7.27 (d, J=7.5Hz, 1H), 7.58 (d, J=7.5Hz, 1H), 7.77 ( d, J=7.5Hz, 1H), 10.70 (br s, 1H); MS: m/z 250.2 (MH+). | | References | [1] Patent: WO2009/12430, 2009, A1. Location in patent: Page/Page column 180-181
[2] Patent: US2010/160289, 2010, A1. Location in patent: Page/Page column 24-25
[3] Patent: US2012/190674, 2012, A1. Location in patent: Page/Page column 73
[4] Patent: US2007/105864, 2007, A1. Location in patent: Page/Page column 193
[5] Patent: US2007/117804, 2007, A1. Location in patent: Page/Page column 125 |
| | tert-butyl benzo[b]thiophen-2-ylcarbaMate Preparation Products And Raw materials |
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