CAS: 97657-92-6; 2,8-Dimethyl-5-(2-(6-Methylpyridin-3-yl)Ethyl)-2,3,4,5-Tetrahydro-1H-Pyrido[4,3-B]Indole Dihydrochloride

• 英文名称2,8-Dimethyl-5-(2-(6-Methylpyridin-3-yl)Ethyl)-2,3,4,5-Tetrahydro-1H-Pyrido[4,3-B]Indole Dihydrochloride
• 中文名称2,3,4,5-四氢-2,8-二甲基-5-[2-(6-甲基-3-吡啶基)乙基]-1H-吡啶并[4,3-b]吲哚二盐酸盐
• IUPAC名称2,8-dimethyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole dihydrochloride
• CAS编号97657-92-6
• MFCD编号:MFCD01617545
• EINECS号:692-160-9
• FDA UNII编号:8B9414QQ5M
• 分子式:C21H27Cl2N3
• 分子量:392.37
• 产品CID: 2022482
• 同类组份化合物CAS3613-73-8 (free base)97657-92-6 (2HCl)
• 产品分类医药中间体 → 吡啶类化合物

• 相似结构搜索
• InChIKey: GTWLIQOLGOZTLF-UHFFFAOYSA-N
• InChI=1S/C21H25N3.2ClH/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点220-222 °C
• 沸点220-222 °C
• PSA:21.06
• LogP:5.4256
• 溶解性水: ≥10mg/mL
• 外观形态白色至类白色粉末
• 储存条件干燥,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  生殖毒性 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H361 |怀疑对生育能力或胎儿造成损害.
• 防范说明P305+P351+P338
• 危险品标志Xn
• 安全声明26-36/39
• 危险类别码22-36/38
• WGK Germany3

欧盟法规

合成工艺路线路线简述

• 21241-08-7 + 1445-73-4 = 97657-92-6
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Benzene; 17 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Ethanol; 2 H,Reflux; Reflux -> Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 13,Cooled1.4 Reagents: Hydrochloric Acid Solvents: Methanol
  标题:Synthesis Of Dimebon And Of Its Tetrathiomolybdate
  作者:Goel,Om P.; Dembinski,Roman
  参考文献:Organic Preparations And Procedures International 日期:2015 卷标:47(3) 页码:220-226]
  
  = 97657-92-6 [标题:Reaction Conditions
  标题:Preparation Of Solid Forms Of Latrepirdine
  参考文献:World Intellectual Property Organization]
  
  = 97657-92-6 [标题:Reaction Conditions
  标题:Process For Preparation Of Pyridylethyl-Substituted Carbolines By Reaction Of A Carboline With No More Than Four Equivalents Of Methyl Vinyl Pyridine.
  参考文献:World Intellectual Property Organization]
  
  19686-05-6 + 140-76-1 = 97657-92-6
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethyl Sulfoxide; 5 H,90 - 95 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:X-Ray Mapping In Heterocyclic Design: 17. Crystal And Molecular Structures Of The "Molecule Of The Month"; And Its Hydrogenated Form
  作者:Rybakov,V. B.; Alekseev,R. S.; Kurkin,A. V.; Yurovskaya,M. A.
  参考文献:Crystallography Reports 日期:2011 卷标:56(1) 页码:122-127]
  
  = 97657-92-6 [标题:Reaction Conditions
  标题:Pyridoindole Compounds As Modulators Of Nmda Receptor And Acetylcholinesterase And Their Preparation And Use In The Treatment Of Diseases
  参考文献:World Intellectual Property Organization]
  
  = 97657-92-6 [标题:Reaction Conditions
  标题:Preparation Of 1,2,3,4-Tetrahydro-1H-Pyrido[4,3-B]Indoles And 1,2,3,4,5,6-Hexahydroazepino[4,3-B]Indoles As Ligands For α-Adrenoceptors And For Dopamine,Histamine,Imidazoline And Serotonin Receptors And Their Use In Treatment Of Cns Diseases
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902300000-甲苯
  2933310010-吡啶
  2921199090-其他无环单胺
  2939800000-其他生物碱
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管