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| | オクタヒドロシクロペンタ[C]ピロール-1-カルボン酸(1S,3AR,6AS)-エチル塩酸塩 製品概要 |
| 化学名: | オクタヒドロシクロペンタ[C]ピロール-1-カルボン酸(1S,3AR,6AS)-エチル塩酸塩 | | 英語化学名: | (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid ethyl ester hydrochloride | | 别名: | (1S,3aR,6aS)-octahydro-, Cyclopenta[c]pyrrole-1-carboxylic acid ethyl ester HCl;(1S,3aR,6aS)-ethyloctahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride;Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, hydrochloride (1:1), (1S,3aR,6aS)-;CYCLOPENTA(C)PYRROLE-1-CARBOXYLIC ACID,OCTAHYDRO-ETHYL ESTERHYDROCHLORIDE;(1S,3R,6S)-Ethyl Octahydrocyclopenta[c] pyrrole-1-carboxylate HCL;Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1S,3aR,6aS)-, hydrochloride;Telaprevir INT2;(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid ethyl ester hydrochloride | | CAS番号: | 1147103-42-1 | | 分子式: | C10H18ClNO2 | | 分子量: | 219.71 | | EINECS: | | | カテゴリ情報: | Telaprevir intermediate | | Mol File: | 1147103-42-1.mol | ![オクタヒドロシクロペンタ[C]ピロール-1-カルボン酸(1S,3AR,6AS)-エチル塩酸塩](CAS/GIF/1147103-42-1.gif) |
| | オクタヒドロシクロペンタ[C]ピロール-1-カルボン酸(1S,3AR,6AS)-エチル塩酸塩 物理性質 |
| 貯蔵温度 | Sealed in dry,Room Temperature | | 外観 | White to off-white Solid | | InChI | InChI=1/C10H17NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/s3 | | InChIKey | CHVSZCHUIDYZIU-ZIEWZEMVNA-N | | SMILES | C([C@H]1NC[C@]2([H])CCC[C@]12[H])(=O)OCC.Cl |&1:1,4,9,r| |
| | オクタヒドロシクロペンタ[C]ピロール-1-カルボン酸(1S,3AR,6AS)-エチル塩酸塩 Usage And Synthesis |
| 合成 | Compound A of the present invention can be prepared by a conventional aminoprotection method to obtain the known telaprevir intermediate A. In this method, when the aminoprotecting group P is a tert-butoxycarbonyl group, the procedure is as follows: under argon protection, compound I is slowly added to an ethyl acetate solution (69.9 g) containing 11 wt% hydrogen chloride cooled to 0°C. The reaction is carried out by stirring for 4 hours. After the addition was completed, the reaction system was warmed to 30-35°C and stirred continuously at this temperature for 4 hours to ensure complete reaction. Upon completion of the reaction, the reaction solution was concentrated to dryness by distillation under reduced pressure. Subsequently, methyl tert-butyl ether (80 mL) was added to the residue at room temperature, stirred for 1 hour and then filtered. The filter cake was dried under vacuum to constant weight to give a white to off-white solid, timosartan intermediate A, in a yield of 15.4 g with 99.5% HPLC purity. The overall four-step molar yield from compound II to intermediate A was 70%. | | 参考文献 | [1] Patent: CN106928123, 2017, A. Location in patent: Paragraph 0085-0089 |
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