228244-04-0
基本信息
2-氰基吡咯烷-1-甲酸叔丁酯
(S)-1-BOC-2-氰基吡咯烷
(S)-1-N-Boc-2-吡咯烷甲腈
(S)-2-氰基吡咯烷-1-甲酸叔丁酯
1-N-BOC-2-CYANO-PYRROLIDINE
1-n-boc-2-pyrrolidinonitrile
2-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-CYANOPYRROLIDINE, N-BOC PROTECTED
TERT-BUTYL 2-CYANOPYRROLIDINE-1-CARBOXYLATE
(s)- N-boc-2-cyano-piperidine
(S)-1-(tert-Butoxycarbonyl)-2-Pyrrolidinecarbonitrile
(S)-1-Boc-2-cyanopyrrolidine
(S)-1-BOC-2-Pyrrolidinecarbonitrile
(S)-1-Boc-2-cyanopiperidine
物理化学性质
| 熔点 | 33-36°C |
| 比旋光度 | -105.5 º (c=1, chloroform) |
| 沸点 | 307.9±35.0 °C(Predicted) |
| 密度 | 1.08±0.1 g/cm3(Predicted) |
| 闪点 | >110°C |
| 储存条件 | Keep in dark place,Inert atmosphere,2-8°C |
| 酸度系数(pKa) | -4.97±0.40(Predicted) |
| 形态 | powder to lump |
| 颜色 | White to Orange to Green |
| 旋光度 (Optical Rotation) | [α]20/D 105.5°, c = 1 in chloroform |
| 水溶解性 | Slightly soluble in water. |
| 敏感性 | Moisture & Light Sensitive |
| InChI | InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m0/s1 |
| InChIKey | MDMSZBHMBCNYNO-QMMMGPOBSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC[C@H]1C#N |
| CAS 数据库 | 228244-04-0(CAS DataBase Reference) |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H302+H312+H332-H315-H319-H302-H312-H332-H335 |
| 防范说明 | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P304+P340-P305+P351+P338-P405-P501a |
| 危险类别码 | R20/21/22-R36/37/38 |
| 安全说明 | S26-S36/37/39 |
| 危险品运输编号 | 3439 |
| WGK Germany | 3 |
| 海关编码 | 29339900 |
| 存储类别 | 10 - Combustible liquids |
应用领域
制备方法
35150-07-3
228244-04-0
通用方法:将N-叔丁氧羰基-L-脯氨酰胺(5g,23.3mmol)和氰尿酰氯(2.58g,14.0mmol)溶于DMF(10mL)中,室温搅拌反应1小时(反应进程通过TLC监测)。反应完成后,将反应混合物用EtOAc萃取,有机相依次用水和饱和食盐水洗涤,无水Na2SO4干燥,减压浓缩。粗产物通过硅胶柱色谱纯化,洗脱剂为石油醚/乙酸乙酯(1/1,v/v),得到(S)-1-N-Boc-2-吡咯烷甲腈(3.48g,收率76%)为白色固体。1H NMR(300MHz,CDCl3)δ4.76(s,1H),3.51(s,2H),2.34-2.31(m,1H),2.17-2.10(m,2H),1.90-1.87(m,1H),1.49(s,9H)。MS(ESI)m/z 197 [M + H]+。
参考文献:
[1] Journal of Agricultural and Food Chemistry, 2012, vol. 60, # 35, p. 8544 - 8551
[2] Canadian Journal of Chemistry, 2007, vol. 85, # 2, p. 85 - 95
[3] Synthetic Communications, 2009, vol. 39, # 3, p. 395 - 406
[4] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 23, p. 7418 - 7429
[5] European Journal of Medicinal Chemistry, 2014, vol. 75, p. 111 - 122
知名试剂公司产品信息
(S)-1-N-Boc-2-吡咯烷甲腈价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | XW0222824404005 | (S)-(-)-1-Boc-2-吡咯烷甲腈 (S)-1-Boc-2-cyanopyrrolidine | 228244-04-0 | 25g | 404元 |
| 2026/09/15 | XW0222824404004 | (S)-(-)-1-Boc-2-吡咯烷甲腈 (S)-1-Boc-2-cyanopyrrolidine | 228244-04-0 | 10g | 163元 |
| 2026/09/15 | XW0222824404003 | (S)-(-)-1-Boc-2-吡咯烷甲腈 (S)-1-Boc-2-cyanopyrrolidine | 228244-04-0 | 5g | 83元 |

