CAS: 885277-30-5; 1-(4-Chloropyridin-2-yl)Piperazine

该化合物是一环环状有机化合物,其特点是与4-氯-2-ym moth相连的管子环,这种结构在医药化学和药物研究中具有很大的多功能性,特别是作为生物活性分子合成的关键中间体.氯丙烯丙烯和氟他林组的存在增强了其反应性,为药物开发提供了选择性功能化.其定义明确的分子框架对设计针对...

英文名称1-(4-Chloropyridin-2-yl)Piperazine
中文名称1-(4-氯吡啶-2-基)哌嗪
IUPAC名称1-(4-chloropyridin-2-yl)piperazine
其它别名1-(4-氯吡啶)-2-哌嗪; 1-(4-Chloro-2-Pyridyl)Piperazine
CAS编号885277-30-5
MFCD编号:MFCD06738950
分子式:C9H12ClN3分子量:197.66
产品CID: 1897964
产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

相似结构搜索
InChIKey: VADWBUKUVBYPDJ-UHFFFAOYSA-N
InChI=1S/C9H12ClN3/c10-8-1-2-12-9(7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

87394-65-8 34803-66-2 87394-55-6

物理性质

沸点354.834°C at 760 mmHg
闪点168.398 °C
密度1.213±0.06 g/cm3(预测)
pKa:8.49±0.10(预测)
PSA:28.16
LogP:1.1446
折射率1.561
蒸汽压0 mmHg at 25 °C
外观形态白色至类白色固体
储存条件在惰性气体(氮气或氩气)下 2–8 °C
产品应用该化合物用于制药合成中间体,制备西格玛-2受体捆绑器和MGLU受体调节器.

MSDS等安全信息

GHS符号GHS05
警示词Danger
危险描述H314
防范说明P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501
UN编号1759.0
包装等级Ⅲ

合成工艺路线路线简述

📜N-Boc-哌嗪,Alkaline Earth Salt Of/the/ Methylsulfuric Acid置于盐酸体系中,用 1,4-二氧六环作为反应溶剂,化学反应生成 1-(4-氯吡啶)-2-哌嗪
参考文献:4-Aryl Piperazine And Piperidine Amides As Novel Mglur5 Positive Allosteric Modulators
标题:4-Aryl Piperazine And Piperidine Amides As Novel Mglur5 Positive Allosteric Modulators
摘要:Positive Allosteric Modulation Of Metabotropic Glutamate Receptor 5 (Mglur5) Is Regarded As A Potential Novel Treatment For Schizophrenic Patients. Herein We Report The Synthesis And Sar Of 4-Aryl Piperazine And Piperidine Amides As Potent Mglur5 Positive Allosteric Modulators (Pams). Several Analogs Have Excellent Activity And Desired Drug-Like Properties. Compound 2B Was Further Characterized As A Pam Using Several In Vitro Experiments,And Produced Robust Activity In Several Preclinical Animal Models. (C) 2010 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmcl.2010.10.036