197638-83-8 1-BOC-4-(4-甲酰苯基)哌嗪

中文名称: 1-BOC-4-(4-甲酰苯基)哌嗪
英文名称: tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
CAS号

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名称和标识

中文名: 1-BOC-4-(4-甲酰苯基)哌嗪
英文名: tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
CAS号: 197638-83-8
分子式: C16H22N2O3
分子量: 290.36
中文别名: 1-Boc-4-(4-甲酰苯基)哌嗪; 1-BOC-4-(4-醛基苯基)哌嗪; 1-BOC-4-(4-甲酰基苯基)哌嗪; 1-叔丁氧羰基-4-(4-甲酰苯基)哌嗪; 4-(4′-甲酰苯基)哌嗪-1-羧酸叔丁酯; 4-(N-BOC-哌嗪-1-基)苯甲醛
英文别名: 1-Boc-4-(4-Formylphenyl)piperazine; 4-(4-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester; 4-(4-TERT-BUTOXYCARBONYL)PIPERAZINEBENZALDEHYDE; 4-(N-BOC-PIPERAZIN-1-YL)BENZALDEHYDE; 1-(4-FORMYL-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER; TERT-BUTYL 4-(4'-FORMYLPHENYL)PIPERAZINE-1-CARBOXYLATE; TERT-BUTYL 4-(4-FORMYLPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE; tert-Butyl-4-(4-formylphenyl)piperazin-1-carboxylat; 4-[4-(t-butoxycarbonyl)piperazin-1-yl]benzaldehyde; 4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde; 4-(4-tert-Butoxycarbonylpiperazin-1-yl)benzaldehyde; 1-Piperazinecarboxylic acid, 4-(4-formylphenyl)-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl 4-(4-formylphenyl)-1-piperazinecarboxylate

物化属性

LogP: 1.74
LogS (Ali): -2.85
LogS (ESOL): -2.89
LogS (SILICOS-IT): -3.02
MLOGP: 1.53

安全信息

安全说明

危险性质：非危险化学品

生产及用途

用途与制备

化学合成。

化学合成

合成路线 1（1. 合成：197638-83-8）

产率：72% 合成条件：With potassium carbonate In 1-methyl-pyrrolidin-2-one at 135℃; 实验步骤：步骤1：向含有化合物1（3.9g，31mmol）和Boc-哌嗪（6.3g，34mmol）的N-甲基-2-吡咯烷酮（NMP）（30ml）溶液中加入K 2 CO 3（8.5g，62毫摩尔）。将混合物在135℃搅拌过夜。反应完成后，将混合物倒入冰水中，收集沉淀物，得到所需产物，为黄色固体（6.4g，72％）。 参考文献：

[1] Patent: WO2016/57779, 2016, A2. Location in patent: Page/Page column 68 [2] Journal of Medicinal Chemistry, 2016, vol. 59, # 6, p. 2747 - 2759 [3] Chemical Communications, 2016, vol. 52, # 67, p. 10289 - 10292 [4] Patent: WO2008/154642, 2008, A2. Location in patent: Page/Page column 155-156 [5] Patent: US2003/13737, 2003, A1 [6] Patent: EP1396487, 2004, A1. Location in patent: Page 14 [7] Patent: EP1612204, 2006, A1. Location in patent: Page/Page column 46 [8] New Journal of Chemistry, 2010, vol. 34, # 11, p. 2612 - 2621