hexadecyltrimethylammonium benzenesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: hexadecyltrimethylammonium benzenesulfonate
• 英文别名: Benzenesulfonate;hexadecyl(trimethyl)azanium；benzenesulfonate;hexadecyl(trimethyl)azanium
• 化学式: C₆H₅O₃S*C₁₉H₄₂N
• 分子量: 441.719
• InChiKey: VBGHUEKZJOCYCD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.76
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trans-1,2-cyclohexandiol 、 hexadecyltrimethylammonium benzenesulfonate 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Interactions of Hydroxy Compounds and Sugars with Anions¹

  摘要：

  Complexations of aliphatic monohydroxy compounds, of trans-1,2 cyclohexanediol, and of several glucose and galactose derivatives with two to four free hydroxy groups are measured in chloroform with peralkylammonium salts containing different anions. It is shown that NMR titrations with up to four different OH signals as well as with some CH signals allow accurate and consistent calculation of equilibrium constants K and complexation induced shifts (CIS). The anions used generally show an increasing affinity in the order iodide < benzenesulfonate < bromide < diphenyl phosphate < chloride < benzenecarboxylate (benzoate). The K values increase from secondary to primary alcohols, and again substantially to vicinal diols, culminating at up to K = 10(3) M(-1) for l-dodecyl glucose or galactose compounds. The observed CIS and K values agree with the formation of 3 different 1:1 complexes of similar stability for the phosphate receptor, with binding one anion between the 2-, 3-, 4-, and 6-OH groups of the glucoside, or only one 1:1 complex in the interaction of halides with sugars. Vicinal (3)J(HOCH) coupling constants are analyzed before and after complexation and provide insight into the hydrogen bond network of the sugar derivatives.

  DOI：

  10.1021/jo951435l
• 作为产物：
  描述：

  以 氘代氯仿 为溶剂， 生成 trans-1,2-cyclohexandiol 、 hexadecyltrimethylammonium benzenesulfonate
  参考文献：
  名称：

  Interactions of Hydroxy Compounds and Sugars with Anions¹

  摘要：

  Complexations of aliphatic monohydroxy compounds, of trans-1,2 cyclohexanediol, and of several glucose and galactose derivatives with two to four free hydroxy groups are measured in chloroform with peralkylammonium salts containing different anions. It is shown that NMR titrations with up to four different OH signals as well as with some CH signals allow accurate and consistent calculation of equilibrium constants K and complexation induced shifts (CIS). The anions used generally show an increasing affinity in the order iodide < benzenesulfonate < bromide < diphenyl phosphate < chloride < benzenecarboxylate (benzoate). The K values increase from secondary to primary alcohols, and again substantially to vicinal diols, culminating at up to K = 10(3) M(-1) for l-dodecyl glucose or galactose compounds. The observed CIS and K values agree with the formation of 3 different 1:1 complexes of similar stability for the phosphate receptor, with binding one anion between the 2-, 3-, 4-, and 6-OH groups of the glucoside, or only one 1:1 complex in the interaction of halides with sugars. Vicinal (3)J(HOCH) coupling constants are analyzed before and after complexation and provide insight into the hydrogen bond network of the sugar derivatives.

  DOI：

  10.1021/jo951435l

文献信息

• Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2407498A2

  公开（公告）日：2012-01-18

  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, and (a4)a compound represented by the following general formula (4).

  本发明的聚硫乙烷光学材料可聚合组合物包括 (A) 聚硫乙烷光学材料聚合催化剂，(B) 至少一种选自异氰酸酯化合物和异硫氰酸酯化合物的化合物，以及 (C) 含有一个或多个巯基的化合物，其中所述聚硫乙烷光学材料聚合催化剂 (A) 包括 (a1) 一种锌化合物，以及 (a4) 一种由下式通式 (4) 表示的化合物。
• 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 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):
• US8304507B2
  申请人：——

  公开号：US8304507B2

  公开（公告）日：2012-11-06