| Identification | Back Directory | [Name]
Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI) | [CAS]
173998-77-1 | [Synonyms]
2-methyl-N-Boc isothiourea N-Boc-2-Methyl-Isothiourea N-(tert-butyloxycarbonyl)-S-methylisothiourea tert-butyl (Z)-(amino(methylthio)methylene)carbamate Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester Carbamic acid, N-[imino(methylthio)methyl]-, 1,1-dimethylethyl ester Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI) | [Molecular Formula]
C7H14N2O2S | [MOL File]
173998-77-1.mol | [Molecular Weight]
190.26 |
| Chemical Properties | Back Directory | [Melting point ]
77 °C | [density ]
1.14±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
9.04±0.46(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
GENERAL STEPS: To a rapidly stirred suspension of S-methylisothiourea sulfate (60.8 g, 0.437 mol) in dichloromethane (600 mL) was slowly added 2 N sodium hydroxide solution (300 mL, 0.6 mol). The reaction mixture was cooled to 0 °C in an ice bath and a dichloromethane solution of di-tert-butyl dicarbonate (43.2 g, 0.198 mol) was slowly added dropwise over a period of 6 hours. After the dropwise addition, the reaction mixture was continued to be stirred at 0 °C for 20 min. Subsequently, the reaction mixture was diluted with dichloromethane (1 L) and the organic and aqueous phases were separated. The organic phase was washed sequentially with water (2 x 500 mL) and dried over anhydrous sodium sulfate. The desiccant was removed by filtration and the filtrate was concentrated under reduced pressure to afford the target product 1-N-Boc-2-methylisothiourea as a white solid (35.5 g, 0.187 mol, 94% yield as di-tert-butyl dicarbonate). | [References]
[1] Patent: US2007/232679, 2007, A1. Location in patent: Page/Page column 8-9 |
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