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| | Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Basic information |
| Product Name: | Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) | | Synonyms: | Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI);(2-ocopropyl)carbamic acid tert-butyl ester;(2-Oxopropyl)carbamic acid tert-butyl ester;ethyl 3-(tert-butoxycarbonylaMino)-2- oxopropanoate;tert-butyl 2-oxopropylcarbaMate;CarbaMic acid, (2-oxopropyl)-, 1,1-diMethylethyl ester;N-Boc-1-aMinopropan-2-one;tert-butyl N-(2-oxopropyl)carbaMate | | CAS: | 170384-29-9 | | MF: | C8H15NO3 | | MW: | 173.21 | | EINECS: | | | Product Categories: | N-BOC | | Mol File: | 170384-29-9.mol |  |
| | Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Chemical Properties |
| Melting point | 48-49 °C | | Boiling point | 80-85 °C(Press: 0.1 Torr) | | density | 1.018±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | pka | 11.18±0.46(Predicted) | | form | liquid | | color | Light yellow | | InChI | InChI=1S/C8H15NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,11) | | InChIKey | OZGMUQGCAFEQOX-UHFFFAOYSA-N | | SMILES | C(OC(C)(C)C)(=O)NCC(=O)C |
| Hazard Codes | Xn | | Risk Statements | 22 | | HS Code | 2924297099 |
| | Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Usage And Synthesis |
| Synthesis | General procedure for the synthesis of N-Boc-1-aminoacetone from 1-(Boc-amino)-2-propanol: 1-(Boc-amino)-2-propanol (16.0 g, 92.0 mmol) was slowly added to a solution of pyridinium dichromate (PDC) (68.9 g, 183 mmol) in N,N-dimethylformamide (DMF) (50 mL) at 0 °C. ) to a solution of DMF (42 mL). The reaction mixture was stirred at 0 °C for 16 h and gradually warmed up to 23 °C. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth plug and rinsed with ether (Et2O) solution. Subsequently, the reaction was quenched with brine (200 mL) and diluted with ether (700 mL). The combined ether layers were washed sequentially with aqueous ammonium chloride (2 x 200 mL), water (2 x 200 mL) and brine (2 x 200 mL), dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated to give N-Boc-1-aminoacetone as a yellow oil; Yield: 10.6 g (61.0 mmol, 61% yield). | | References | [1] Organic Letters, 2011, vol. 13, # 11, p. 2932 - 2935
[2] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 16, p. 1916 - 1928
[3] Russian Chemical Bulletin, 2005, vol. 54, # 6, p. 1535 - 1536
[4] Synthesis (Germany), 2015, vol. 47, # 18, p. 2756 - 2766
[5] Patent: WO2006/104356, 2006, A1. Location in patent: Page/Page column 27 |
| | Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials |
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