1-methyl-4-aza-1-azonia-bicyclo[2.2.2]octane; bromide hydrobromide | 117891-78-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-methyl-4-aza-1-azonia-bicyclo[2.2.2]octane; bromide hydrobromide
• 英文别名: 1-Methyl-4-aza-1-azonia-bicyclo[2.2.2]octan; Bromid-hydrobromid；1-Methyl-1,4-diazoniabicyclo[2.2.2]octane;dibromide
• CAS: 117891-78-8
• 化学式: BrH*Br*C₇H₁₅N₂
• 分子量: 288.025
• InChiKey: IUOVBAJOXKZZDH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -7.65
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium dibromide 在 氢溴酸 作用下， 生成 1-methyl-4-aza-1-azonia-bicyclo[2.2.2]octane; bromide hydrobromide
  参考文献：
  名称：

  355.三亚乙基二胺（1：4-二氮杂双环[2：2：2]辛烷）和六亚乙基四胺。第三部分 2：2'：2”-三氯三乙胺盐酸盐与二甲胺的相互作用

  摘要：

  DOI：

  10.1039/jr9570001881

文献信息

• POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1988109A1

  公开（公告）日：2008-11-05

  A polymerizable composition for polythiourethane optical materials comprising a compound represented by the general formula (1),         M(L)n     (1) wherein, in the formula, M is Al, Fe, Cu, Zn, Zr or Bi; L is a dithiocarbamic acid group, a sulfonic acid group, a mono- or di-alkyl phosphoric acid ester group, a substituted acetylacetonato group or a halogen; and n is an integer of 1 to 5, one or two or more isocyanates selected from the group consisting of isocyanate compounds and isothiocyanate compounds, and one or two or more active hydrogen compounds each having a mercapto group. The compounds represented by the general formula (1) exhibit catalytic activity equal to or superior to that of organotin catalysts having been employed as catalysts for the production of polythiourethane optical materials from the past, and have high safety. Further, the thus obtained polythiourethane resins satisfactorily meet the property requirements for optical materials, in particular, excelling in weather resistance. Therefore, the proposed catalysts are available as novel catalysts replacing the organotin catalysts.

  一种用于聚硫乙烷光学材料的可聚合组合物，由通式 (1) 所代表的化合物组成、 M(L)n (1) 式中，M 是 Al、Fe、Cu、Zn、Zr 或 Bi；L 是二硫代氨基甲酸基团、磺酸基团、单烷基或二烷基磷酸酯基团、取代的乙酰丙酮基团或卤素；n 是 1 至 5 的整数、 一种或两种或多种异氰酸酯，选自异氰酸酯化合物和异硫氰酸酯化合物组成的组，以及 一种或两种或多种活性氢化合物，每种活性氢化合物都带有一个巯基。通式（1）所代表的化合物的催化活性等同于或优于过去用作生产聚硫乙烷光学材料催化剂的有机锡催化剂，而且安全性高。此外，由此获得的聚硫乙烷树脂还能满足光学材料的性能要求，特别是在耐候性方面表现出色。因此，所提出的催化剂可作为新型催化剂替代有机锡催化剂。
• POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2341091A1

  公开（公告）日：2011-07-06

  The polymerizable composition for an optical material of the present invention comprises a phenylene diisocyanate, at least one polythiol compound selected from the group consisting of 4-mercaptomethyl-1,8-dimercapto-3,6-dithiaoctane, 4,8-, 4,7- or 5,7-dimercaptomethyl-1,11-dimercapto-3,6,9-trithiaundecane, 2,5-bis(mercaptomethyl)-1,4-dithiane, bis(mercaptoethyl)sulfide, 1,1,3,3-tetrakis(mercaptomethylthio)propane, 4,6-bis(mercaptomethylthio)-1,3-dithiane, 2-(2,2-bis(mercaptomethylthio)ethyl)-1,3-dithietane, 1,1,2,2-tetrakis(mercaptomethylthio)ethane 3-mercaptomethyl-1,5-dimercapto-2,4-dithiapentane and tris(mercaptomethylthio)methane.

  用于本发明光学材料的可聚合组合物包括亚苯基二异氰酸酯、至少一种选自以下组别的聚硫醇化合物：4-巯甲基-1,8-二巯基-3,6-二硫代辛烷、4,8-、4,7-或 5,7-二巯甲基-1,11-二巯基-3,6,9-三硫代十一烷、2、5-双（巯甲基）-1,4-二噻烷、双（巯基乙基）硫醚、1,1,3,3-四（巯甲基硫基）丙烷、4,6-双（巯甲基硫基）-1,3-二噻烷、2-（2、1,3-二噻烷、1,1,2,2-四（巯甲基硫基）乙烷、3-巯甲基-1,5-二巯基-2,4-二硫戊烷和三（巯甲基硫基）甲烷。
• POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2295484B1

  公开（公告）日：2018-01-17
• POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2341091B1

  公开（公告）日：2013-12-04
• POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL
  申请人：Iwazumi Masanori

  公开号：US20110112269A1

  公开（公告）日：2011-05-12

  The polymerizable composition for a polythiourethane optical material of the present invention includes (A) a polymerization catalyst for a polythiourethane optical material, (B) at least one compound selected from an isocyanate compound and an isothiocyanate compound, and (C) a compound containing one or more mercapto groups, wherein said polymerization catalyst for a polythiourethane optical material (A) includes (a1) a zinc compound, (a2) a compound represented by the following general formula (1), and (a3) a sulfonic acid represented by the following general formula (2):