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| | 3-AMino-azepane-1-carboxylic acid tert-butyl ester Basic information | | Synthesis |
| Product Name: | 3-AMino-azepane-1-carboxylic acid tert-butyl ester | | Synonyms: | (3R)-Amino-azepane-1-carboxylic acid tert-butyl ester;(S)-Methyl 3-(1-aMinoethyl)benzoate;(R)-3-AMino-azepane-1-carboxylic acid tert-butyl ester;(R)-1-Boc-3-aMinoazepane;(R)-tert-butyl 3-aMinoazepane-1-carboxylate;(3R)-3-AMinohexahydro-1H-azepine-1-carboxylic Acid 1,1-DiMethylethyl Ester;tert-Butyl (3R)-3-AMinoazepane-
1-carboxylate;1H-Azepine-1-carboxylic acid, 3-aMinohexahydro-, 1,1-diMethylethyl ester, (3R)- | | CAS: | 1032684-85-7 | | MF: | C11H22N2O2 | | MW: | 214.31 | | EINECS: | | | Product Categories: | | | Mol File: | 1032684-85-7.mol |  |
| | 3-AMino-azepane-1-carboxylic acid tert-butyl ester Chemical Properties |
| Boiling point | 296.5±33.0 °C(Predicted) | | density | 1.020 | | storage temp. | 2-8°C(protect from light) | | pka | 10.35±0.20(Predicted) | | Appearance | Colorless to light yellow Liquid | | InChI | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1 | | InChIKey | WXWILWLHHQGUCX-SECBINFHSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCCC[C@@H](N)C1 | | CAS DataBase Reference | 1032684-85-7 |
| RIDADR | UN2735 | | HazardClass | 8 |
| | 3-AMino-azepane-1-carboxylic acid tert-butyl ester Usage And Synthesis |
| Synthesis | In a three-necked flask equipped with a stirrer, 200 mL of a buffer solution consisting of sodium carbonate and sodium bicarbonate was added. The mixture was placed in an ice bath, and tert-butyl dicarbonate was added dropwise using a dropping funnel. The reaction mixture was stirred in a water bath at 30°C for 22 hours. Unreacted tert-butyl dicarbonate was removed by extraction with diethyl ether (100 mL × 2). The resulting aqueous phase was adjusted to pH 2-3 with 3 mol/L hydrochloric acid solution, then extracted with ethyl acetate (100 mL × 4), dried over anhydrous sodium sulfate, filtered, and the solvent was removed by rotary evaporation to obtain a colorless, oily liquid 3-AMino-azepane-1-carboxylic acid tert-butyl ester. 
| | Uses | (3R)-3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester is used in the preparation of ureidothiophenes, as CHK1 kinase inhibitors for treating neoplasm. |
| | 3-AMino-azepane-1-carboxylic acid tert-butyl ester Preparation Products And Raw materials |
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