辛可尼丁盐酸盐 | 24302-67-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• 中文名称: 辛可尼丁盐酸盐
• 中文别名: 辛可尼丁二盐酸盐；辛可尼定二盐酸盐
• 英文名称: Cinchonidine Dihydrochloride
• 英文别名: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride
• CAS: 24302-67-8；524-54-9
• 化学式: C19H24Cl2N2O
• 分子量: 367.3
• InChiKey: ZDBQDNUZNQOCTH-WESSAKMQSA-N

物化性质

• 熔点：
  179 °C

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  36.4
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25,S26,S61
• 海关编码：
  29339900
• 危险品标志：
  Xi,N
• WGK Germany：
  1
• RTECS号：
  OF0700000
• 危险类别码：
  R51/53,R41,R37/38
• 危险品运输编号：
  UN 3077 9/PG 3

制备方法与用途

药理作用

辛可尼丁对肿瘤细胞生长的影响：辛可尼丁能够抑制肿瘤细胞的增殖，并促进其早期凋亡。同时，它还能增强促进细胞凋亡因子的表达，抑制抑制凋亡因子的表达。

制备

在大气压下蒸馏出约80%的溶剂体积后，加入190毫升乙酸乙酯并将有机溶液用2摩尔/升的盐酸水溶液（114毫升）清洗。得到的乙酸乙酯溶液于60℃加到55.94克（0.19摩尔）辛可尼丁的乙腈（760毫升）悬浮液中。将生成的混合物在60℃搅拌10分钟后冷却至22℃，然后过滤。从1500毫升异丙醇中重结晶固体，并干燥后得到白色固体辛可尼丁二盐酸盐，总产率为29%。

文献信息

• (METH)ACRYLATE MANUFACTURING METHOD
  申请人：TOAGOSEI CO., LTD

  公开号：US20180118658A1

  公开（公告）日：2018-05-03

  The present invention provides a (meth)acrylate manufacturing method characterized in that when manufacturing a (meth) acrylate by an ester exchange reaction between an alcohol and a monofunctional (meth)acrylate using catalyst A and catalyst B together, contact treatment of the ester exchange reaction product with adsorbent C is performed. Catalyst A: One or more kinds of compounds selected from a group consisting of cyclic tertiary amines with an azabicyclo structure and salts or complexes thereof, amidine and salts or complexes thereof, compounds with a pyridine ring and salts or complexes thereof, phosphines and salts or complexes thereof, and compounds with a tertiary diamine structure and salts or complexes thereof. Catalyst B: One or more kinds of compounds selected from a group consisting of compounds comprising zinc. Adsorbent C: One or more kinds of compounds selected from a group consisting of oxides and hydroxides comprising at least one of magnesium, aluminum and silicon.

  本发明提供了一种（甲基）丙烯酸酯制备方法，其特征在于通过在使用催化剂A和催化剂B一起进行醇和单官能基（甲基）丙烯酸酯之间的酯交换反应制备（甲基）丙烯酸酯时，对酯交换反应产物进行与吸附剂C的接触处理。催化剂A：从含有氮杂双环结构的环状三级胺及其盐或络合物、胺嘧啶及其盐或络合物、含有吡啶环的化合物及其盐或络合物、膦及其盐或络合物、以及含有三级二胺结构的化合物及其盐或络合物中选择的一种或多种化合物。催化剂B：从含锌化合物中选择的一种或多种化合物。吸附剂C：从含有镁、铝和硅中至少一种的氧化物和氢氧化物中选择的一种或多种化合物。
• MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD
  申请人：TOAGOSEI CO., LTD.

  公开号：US20170204044A1

  公开（公告）日：2017-07-20

  [Problem] The purpose of the present invention is to obtain a multifunctional (meth)acrylate with good yield by an ester exchange reaction of a polyhydric alcohol such as pentaerythritol or dipentaerythritol with a monofunctional (meth)acrylate. [Solution] A multifunctional (meth)acrylate manufacturing method characterized in that when manufacturing a multifunctional (meth)acrylate by an ester exchange reaction of a polyhydric alcohol with a monofunctional (meth)acrylate, catalyst (A) and catalyst (B) are used together. Catalyst (A): One or more kinds of compounds selected from a group consisting of cyclic tertiary amines with an azabicyclo structure or salts or complexes thereof, amidines or salts or complexes thereof, and compounds with a pyridine ring or salts or complexes thereof. Catalyst (B): One or more kinds of compounds selected from a group consisting of zinc-containing compounds.

  [问题] 本发明的目的是通过多元醇（如戊三醇或二戊三醇）与单官能基（甲基）丙烯酸酯的酯交换反应，获得产率高的多功能（甲基）丙烯酸酯。[解决方案] 一种多功能（甲基）丙烯酸酯制备方法，其特征在于，在通过多元醇与单官能基（甲基）丙烯酸酯的酯交换反应制备多功能（甲基）丙烯酸酯时，同时使用催化剂（A）和催化剂（B）。催化剂（A）：选自具有氮杂双环结构的环三胺或其盐或络合物、酰胺或其盐或络合物以及吡啶环或其盐或络合物组成的群中的一种或多种化合物。催化剂（B）：选自含锌化合物组成的群中的一种或多种化合物。
• METHOD FOR PRODUCING (METH)ACRYLATE
  申请人：TOAGOSEI CO., LTD.

  公开号：US20180105483A1

  公开（公告）日：2018-04-19

  A method for producing a (meth) acrylate comprises transesterification reaction of an alcohol and a monofunctional (meth) acrylate with catalysts in combination being cyclic tertiary amines having an azabicyclo structure and compounds containing zinc, separating a solid that contains the catalysts from a reaction product containing a (meth) acrylate, and producing a (meth) acrylate by transesterification reaction of an alcohol and a monofunctional (meth) acrylate, while using the recovered solid catalyst.

  生产（甲基）丙烯酸酯的方法包括使用具有氮杂双环结构的环状三级胺和含锌化合物作为催化剂，将醇和单官能团（甲基）丙烯酸酯进行酯交换反应，从含有催化剂的固体中分离出含有（甲基）丙烯酸酯的反应产物，然后通过将醇和单官能团（甲基）丙烯酸酯进行酯交换反应，并使用回收的固体催化剂来生产（甲基）丙烯酸酯。
• Multifunctional (meth)acrylate manufacturing method
  申请人：TOAGOSEI CO., LTD.

  公开号：US10035752B2

  公开（公告）日：2018-07-31

  [Problem] The purpose of the present invention is to obtain a multifunctional (meth)acrylate with good yield by an ester exchange reaction of a polyhydric alcohol such as pentaerythritol or dipentaerythritol with a monofunctional (meth)acrylate. [Solution] A multifunctional (meth)acrylate manufacturing method characterized in that when manufacturing a multifunctional (meth)acrylate by an ester exchange reaction of a polyhydric alcohol with a monofunctional (meth)acrylate, catalyst (A) and catalyst (B) are used together. Catalyst (A): One or more kinds of compounds selected from a group consisting of cyclic tertiary amines with an azabicyclo structure or salts or complexes thereof, amidines or salts or complexes thereof, and compounds with a pyridine ring or salts or complexes thereof. Catalyst (B): One or more kinds of compounds selected from a group consisting of zinc-containing compounds.

  [问题]本发明的目的是通过季戊四醇或季戊四醇等多元醇与单官能团（甲基）丙烯酸酯的酯交换反应，获得收率高的多官能团（甲基）丙烯酸酯。 [解]一种多功能（甲基）丙烯酸酯的制造方法，其特征在于通过多元醇与单官能（甲基）丙烯酸酯的酯交换反应制造多功能（甲基）丙烯酸酯时，催化剂（A）和催化剂（B）一起使用。催化剂 (A)：一种或多种化合物，选自具有氮杂双环结构的环状叔胺或其盐或络合物、脒或其盐或络合物以及具有吡啶环的化合物或其盐或络合物组成的组。催化剂 (B)：一种或多种选自含锌化合物组的化合物。
• Method for producing (meth)acrylate
  申请人：TOAGOSEI CO., LTD.

  公开号：US10065916B2

  公开（公告）日：2018-09-04

  A method for producing a (meth)acrylate comprises transesterification reaction of an alcohol and a monofunctional(meth) acrylate with catalysts in combination being cyclic tertiary amines having an azabicyclo structure and compounds containing zinc, separating a solid that contains the catalysts from a reaction product containing a (meth)acrylate, and producing a (meth)acrylate by transesterification reaction of an alcohol and a monofunctional (meth)acrylate, while using the recovered solid catalyst.

  一种生产(甲基)丙烯酸酯的方法包括醇和单官能团(甲基)丙烯酸酯与具有氮杂双环结构的环叔胺和含锌化合物组合的催化剂进行酯交换反应，将含有催化剂的固体与含有(甲基)丙烯酸酯的反应产物分离，通过醇和单官能团(甲基)丙烯酸酯的酯交换反应生产(甲基)丙烯酸酯，同时使用回收的固体催化剂。

表征谱图