CAS: 79779-58-1; Ethyl 4-(5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)Piperidine-1-Carboxylate

英文名称Ethyl 4-(5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)Piperidine-1-Carboxylate
中文名称4-(5,6-二氢-11H-苯并[5,6]环庚[1,2-b]吡啶-11-亚基)哌啶-1-羧酸乙酯
CAS编号79779-58-1
分子式:C22H24N2O2分子量:348.44
产品CID: 1791828
产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

相似结构搜索
InChIKey: YVMQUVFVYIFGLY-UHFFFAOYSA-N
1S/C22H24N2O2/c1-2-26-22(25)24-14-11-17(12-15-24)20-19-8-4-3-6-16(19)9-10-18-7-5-13-23-21(18)20/h3-8,13H,2,9-12,14-15H2,1H3
计算化学: 氢键受体数3.0氢键供体数*可旋转键数1.0

物理性质

PSA:42.43
LogP:4.2344
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态白色至类白色固体
产品应用该化合物用于该化合物用于合成法尔尼基蛋白转移酶抑制剂.

MSDS等安全信息

上下游产品

合成工艺路线路线简述

合成目标产物 Loratadine Impurity 19 主要起始原料 Ethyl Chloroformate And Azatadine
79794-75-5 = 79779-58-1 + 79794-76-6
反应条件:1.1R:Me4N+ oh-,C:2459401-66-0,S:Meoh,S:Hocme2Et,S:Thf,48 H,Rt
标题:Organocatalyzed Birch Reduction Driven By Visible Light
作者:By Cole,Justin P. Et Al
参考文献:Journal Of The American Chemical Society 日期:2020 卷标:142(31) 页码:13573-13581]

3964-73-6 = 79779-58-1
反应条件:1.1S:Thf
标题:Preparation Of Ethyl 4-(5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)Piperidine-1-Carboxylate
作者:By Rey,Max And Gladow,Stefan
参考文献:Patentschrift (Switz. 日期:From Patentschrift (Switz.),688412,15 Sep 1997 卷标:688412 页码:15 Sep 1997]

3964-81-6 = 79779-58-1
反应条件:1.1
标题:N-Substituted 11-(4-Piperidylene)-5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridines. Antihistamines With No Sedating Liability
作者:By Villani,F. J. Et Al
参考文献:Arzneimittel-Forschung 日期:1986 卷标:36(9) 页码:1311-14]

79794-75-5 = 79779-58-1 + 79794-76-6
反应条件:1.1R:Me4N+ oh-,C:2459401-66-0,S:Hocme2Et,S:Meoh,S:Thf,48 H,Rt
标题:Organocatalyzed Birch Reduction Driven By Visible Light
作者:By Cole,Justin P. Et Al
参考文献:Chemrxiv 日期:2020 卷标:From Chemrxiv 页码:1-13]

79794-75-5 + 2926-29-6 = 79779-58-1 + 2471972-01-5 + 2471982-72-4
反应条件:1.1R:Et4N+ -Bf4,R:H2So4,S:Dmso,10 H,Rt
标题:Late-Stage Lead Diversification Coupled With Quantitative Nuclear Magnetic Resonance Spectroscopy To Identify New Structure-Activity Relationship Vectors At Nanomole-Scale Synthesis: Application To Loratadine,A Human Histamine H1 Receptor Inverse Agonist
作者:By Lall,Manjinder S. Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2020 卷标:63(13) 页码:7268-7292]

14578-23-5 + 63463-36-5 = 79779-58-1
反应条件:1.12.13.1
标题:Dual Antagonists Of Platelet-Activating Factor And Histamine. Identification Of Structural Requirements For Dual Activity Of N-Acyl-4-(5,6-Dihydro-11H-Benzo[5,6]Cyclohepta[1,2-B]Pyridin-11-Ylidene)Piperidines
作者:By Piwinski,John J. Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1991 卷标:34(1) 页码:457-61

📜氯化苄置于正丁基锂,硫酸,三乙胺,三氯氧磷体系中,用四氢呋喃,甲苯作为反应溶剂,化学反应生成氯雷他定脱氯杂质
参考文献:血小板活化因子和组胺的双重拮抗剂.鉴定n-酰基-4-(5,6-二氢-11H-苯并[5,6]环庚-[1,2-B]吡啶-11-亚吡啶)哌啶的双重活性的结构要求.
标题:血小板活化因子和组胺的双重拮抗剂.鉴定n-酰基-4-(5,6-二氢-11H-苯并[5,6]环庚-[1,2-B]吡啶-11-亚吡啶)哌啶的双重活性的结构要求.
摘要:
DOI:10.1021/jm00105A069