101469-92-5 (S)-1-N-叔丁氧羰基-3-羟基吡咯烷

中文名称: (S)-1-N-叔丁氧羰基-3-羟基吡咯烷
英文名称: (S)-tert-Butyl 3-hydroxypyrrolidine-1-carboxylate
CAS号

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名称和标识

中文名: (S)-1-N-叔丁氧羰基-3-羟基吡咯烷
英文名: (S)-tert-Butyl 3-hydroxypyrrolidine-1-carboxylate
CAS号: 101469-92-5
分子式: C9H17NO3
分子量: 187.24
中文别名: (S)-1-N-BOC-3-羟基吡咯烷; S-N-Boc-3-羟基吡咯烷; (S)-(+)-1-BOC-3-羟基吡咯烷; (S)-N-叔丁氧羰基-3-羟基吡咯烷; N-BOC-(S)-3-羟基吡咯烷; 1-叔丁氧羰基-3(S)-羟基吡咯; (S)-1-(叔丁氧羰基)-3-吡咯烷醇; N-(叔丁氧羰基)-(S)-(+)-3-吡咯烷醇; (S)-3-羟基-N-叔丁氧羰基吡咯烷; (S)-1-Boc-3-羟基吡咯烷; (S)-1-N-BOC-3-吡咯烷醇; (S)-(+)-N-BOC-3-吡咯醇; S-1-boc-3-羟基吡咯烷
英文别名: BOC-(S)-3-HYDROXYPYRROLIDINE; (3S)-(+)-N-BOC-3-HYDROXYPYRROLIDINE; 1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3S)-; (S)-3-Hydroxypyrrolidine, N-BOC protected; (S)-(+)-1-Boc-3-hydroxypyrrolidine; (S)-N-(tert-Butoxycarbonyl)-(+)-3-pyrrolidinol; (S)-(+)-N-BOC-3-pyrrolidinol; (S)-1-Boc-3-pyrrolidinol; (S)-1-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine; (S)-1-N-Boc-3-Hydroxypyrrolidine; tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate; N-BOC-3-hydroxypyrrolidine

物化属性

LogP: 0.719
LogS: -1.19 (ESOL)
PSA: 49.77 Å²
XLogP3: 0.62
pKa: 14.74±0.20 (Predicted)
外观

安全信息

安全说明

危险品运输编号:UN 2811 6.1/PG 3 WGK Germany:3 F:10 危险等级:6.1 包装类别:Ⅲ 海关编码:29339900 存储类别:6.1C - 可燃，急性毒性类别3 毒性化合物或者引起慢性影响的化合物危险性类别:急性毒性类别3经口严重眼损伤类别1 经皮刺激类别2 特异性靶器官毒性-一次接触，类别3

生产及用途

用途与制备

用在合成乙酰胆碱受体的配体

(S)-1-N-叔丁氧羰基-3-羟基吡咯烷是有机合成的中间体，可用在合成乙酰胆碱受体的配体。

合成路线 1（1. 合成：101469-92-5）

产率：100% 合成条件：With triethylamine In 1,4-dioxane 实验步骤：如图1所示。 3k，化合物16的合成是四个反应过程。首先，得到化合物16b，为（R）-3-吡咯烷醇（539mg，6.19mmol）的无色油状物（1.3g，100％）。光谱数据与提出的结构一致，并与文献中报道的相匹配。（参见Kucznierz，R。等人，J.Med.Chem.1998,41,4983-4994。）从化合物16b获得化合物16c，为无色油状物。从化合物16c两步获得化合物16e，为无色油状物。最后，从化合物16e获得化合物16，为黄色油状物。 参考文献：

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