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| | Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI) Basic information |
| Product Name: | Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI) | | Synonyms: | Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI);tert-butyl (1S,2R)-2-hydroxycyclohexylcarbaMate;1S,2R-Boc-2-aMinocyclohexanol;Carbamic acid,N-[(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester;(1R,2S)-cis-N-Boc-2-aminocyclohexanol;(1R,2S)-N-tert-Butoxycarbonyl-2-aminocyclohexanol;(1S,2R)-N-Boc-2-Aminocyclohexanol;(1S,2R)-N-Boc-2-aminocyclohexanol,99%e.e. | | CAS: | 214679-17-1 | | MF: | C11H21NO3 | | MW: | 215.29 | | EINECS: | | | Product Categories: | N-BOC | | Mol File: | 214679-17-1.mol | ![Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI) Structure](CAS/GIF/214679-17-1.gif) |
| | Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI) Chemical Properties |
| Boiling point | 337.714±31.00 °C(Press: 760.00 Torr)(predicted) | | density | 1.066±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | | storage temp. | 2-8°C | | form | powder | | pka | 12.110±0.40(predicted) | | Appearance | White to off-white Solid | | Optical Rotation | -33.4 ° (C=0.99 g/100ml,CHCL3) | | InChI | 1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m0/s1 | | InChIKey | XVROWZPERFUOCE-DTWKUNHWSA-N | | SMILES | CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1O |
| Hazard Codes | Xi | | Risk Statements | 38-41 | | Safety Statements | 26-39 | | WGK Germany | 3 | | Storage Class | 13 - Non Combustible Solids | | Hazard Classifications | Eye Dam. 1
Skin Irrit. 2 |
| | Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI) Usage And Synthesis |
| Synthesis | To a stirred solution of (1R,2S)-2-(tert-butoxycarbonylamino)cyclohexyl 4-nitrobenzoate (1.95 g, 5.35 mmol) in tetrahydrofuran (THF, 50 mL) was slowly added an aqueous solution of 1N lithium hydroxide (LiOH, 9.63 mL, 9.63 mmol) at 0 °C. The reaction mixture was stirred at room temperature for 6 hours. After completion of the reaction, the mixture was partitioned between ethyl acetate (EtOAc) and water. The organic layer was separated, washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: ethyl acetate/hexane, 1:1) to afford the target product (1S,2R)-tert-butyl 2-hydroxycyclohexylcarbamate (1.15 g, 100% yield). | | References | [1] Patent: WO2011/29027, 2011, A1. Location in patent: Page/Page column 131 |
| | Carbamic acid, [(1S,2R)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials |
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