Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI)
- Product Name
- Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI)
- CAS No.
- 173998-77-1
- Chemical Name
- Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI)
- Synonyms
- N-Boc-S-methylisothiourea;N-Boc-2-Methyl-Isothiourea;2-methyl-N-Boc isothiourea;N-(tert-butyloxycarbonyl)-S-methylisothiourea;tert-butyl N-[imino(methylthio)methyl]carbamate;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)
- CBNumber
- CB21044867
- Molecular Formula
- C7H14N2O2S
- Formula Weight
- 190.26
- MOL File
- 173998-77-1.mol
Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI) Property
- 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 and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B667930
- Product name
- 1-N-Boc-2-methyl-isothiourea
- Packaging
- 500mg
- Price
- $285
- Updated
- 2021/12/16
- Product number
- A119379
- Product name
- 1-N-Boc-2-Methyl-Isothiourea
- Purity
- 97%
- Packaging
- 100mg
- Price
- $40
- Updated
- 2021/12/16
- Product number
- BD518036
- Product name
- 1-N-Boc-2-Methyl-Isothiourea
- Purity
- 97%
- Packaging
- 100mg
- Price
- $42
- Updated
- 2021/12/16
- Product number
- A119379
- Product name
- 1-N-Boc-2-Methyl-Isothiourea
- Purity
- 97%
- Packaging
- 250mg
- Price
- $77
- Updated
- 2021/12/16
- Product number
- BD518036
- Product name
- 1-N-Boc-2-Methyl-Isothiourea
- Purity
- 97%
- Packaging
- 250mg
- Price
- $77
- Updated
- 2021/12/16
Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester (9CI) Chemical Properties,Usage,Production
Synthesis
24424-99-5
14527-26-5
173998-77-1
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