CAS: 357426-10-9; 8-(2,2,2-Trifluoroacetyl)-1,6,7,8,9,10-Hexahydro-2H-6,10-Methanoazepino[4,5-G]Quinoxalin-2-One

英文名称8-(2,2,2-Trifluoroacetyl)-1,6,7,8,9,10-Hexahydro-2H-6,10-Methanoazepino[4,5-G]Quinoxalin-2-One
中文名称羟基缬氨酸N-三氟乙酸盐
IUPAC名称8-(2,2,2-trifluoroacetyl)-1,6,7,8,9,10-hexahydro-2H-6,10-methanoazepino[4,5-g]quinoxalin-2-one
CAS编号357426-10-9
MFCD编号:MFCD32868560
分子式:C15H12F3N3O2分子量:323.27
产品CID: 1366198
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: UPELGARMUSJCPA-UHFFFAOYSA-N
InChI=1S/C15H12F3N3O2/c16-15(17,18)14(23)21-5-7-1-8(6-21)10-3-12-11(2-9(7)10)19-4-13(22)20-12/h2-4,7-8H,1,5-6H2,(H,20,22)
计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数*

物理性质

熔点285 - 289°C
PSA:66.06
LogP:1.8364
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态类白色至淡黄色固体
储存条件冰箱

MSDS等安全信息

上下游产品

1-(7,8-diamino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone Glyoxilic acid

合成工艺路线路线简述

📜2,3,4,5-四氢-3-(三氟乙酰基)-1,5-甲桥-1H-3-苯并氮杂卓-7,8-二胺,乙醛酸以水作为反应溶剂,化学反应生成羟基缬氨酸n-三氟乙酸盐
参考文献:3,5-Bicyclic Aryl Piperidines: A Novel Class Of α4β2 Neuronal Nicotinic Receptor Partial Agonists For Smoking Cessation
标题:3,5-Bicyclic Aryl Piperidines: A Novel Class Of α4β2 Neuronal Nicotinic Receptor Partial Agonists For Smoking Cessation
摘要:3,5-Bicyclic Aryl Piperidines Are A New Class Of High-Affinity Alpha 4 Beta 2 Nicotinic Receptor Agents. We Have Sought Nicotinic Receptor Partial Agonists Of The Alpha 4 Beta 2 Nicotinic Acetylcholine Receptor For Smoking Cessation,And A Number Of Compounds Fulfill Potency,Selectivity,And Efficacy Requirements In Vitro. In Vivo,Selected Agents Demonstrate Potent Partial Agonist Efficacy On The Mesolimbic Doparnine System,A Key Measure Of Therapeutic Potential For Smoking Cessation. (C) 2005 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmcl.2005.08.035