3,3',3'',3''',3'''',3'''''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azane-triyl))hexakis(N-(2-(dimethylamino)ethyl)propanamide) | 1325212-94-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,3',3'',3''',3'''',3'''''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azane-triyl))hexakis(N-(2-(dimethylamino)ethyl)propanamide)
• 英文别名: 3-[2-[bis[2-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]ethyl]amino]ethyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
• CAS: 1325212-94-9
• 化学式: C₄₈H₁₀₂N₁₆O₆
• 分子量: 999.441
• InChiKey: QSHIHSCXZBTKRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  70.0
• 可旋转键数：
  45.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  207.0
• 氢给体数：
  6.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  3,3',3'',3''',3'''',3'''''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azane-triyl))hexakis(N-(2-(dimethylamino)ethyl)propanamide) 、 溴代十二烷 以 甲醇 、 丙酮 为溶剂， 反应 72.0h， 以46.8%的产率得到10-(2-(bis(3-(2-(dodecyldimethylammonio)ethylamino)-3-oxopropyl)amino)ethyl)-N1,N19-didodecyl-7,13-bis(3-(2-(dodecyldimethylammonio)ethylamino)-3-oxopropyl)-N1,N1,N19,N19-tetramethyl-4,16-dioxo-3,7,10,13,17-pentaazanonadecane-1,19-diaminium hexabromide
  参考文献：
  名称：

  Synthesis and Aggregation Behavior of a Hexameric Quaternary Ammonium Surfactant

  摘要：

  A star-shaped hexameric quaternary ammonium surfactant (PAHB), bearing six hydrophobic chains and six charged hydrophilic headgroups Connected by an amide-type spacer group, was synthesized. The self-assembly behavior of the surfactant in aqueous solution was studied by surface tension, electrical conductivity, isothermal titration microcalorimetry, dynamic light scattering, cryogenic transmission electron microscopy, and NMR techniques. The results reveal that there are two critical aggregate concentrations during the process of aggregation, namely C-1 and C-2. The aggregate transitions are proved to be caused by the changes of the surfactant configuration through hydrophobic interaction among the hydrocarbon,chains. Below, C-1, PAHB may present a star-shaped molecular configuration due to intramolecular electrostatic repulsion among the charged headgroups, and large aggregates with network-like structure are observed. Between C-1 and C-2, the hydrophobic interaction among the hydrophobic chains may become stronger to make the hydrophobic chains of the PAHB molecules curve back and more closely, and then the network like aggregates transfer to large spherical aggregates of similar to 100 nm. Beyond C-2, the hydrophobic interaction may become strong enough to cause the PAHB molecular configuration to turn into a pyramid-like shape, resulting the transition of the spherical large aggregates to spherical micelles of similar to 10 nm. Interestingly, the PAHB displays high emulsification ability to linear fatty alkyls even at very low concentration.

  DOI：

  10.1021/la202453c
• 作为产物：
  描述：

  hexamethyl 3,3',3'',3''',3'''',3'''''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azanetriyl))hexapropanoate 、 N,N-二甲基乙二胺 以 甲醇 为溶剂， 反应 168.0h， 以100%的产率得到3,3',3'',3''',3'''',3'''''-(2,2',2''-nitrilotris(ethane-2,1-diyl)tris(azane-triyl))hexakis(N-(2-(dimethylamino)ethyl)propanamide)
  参考文献：
  名称：

  Synthesis and Aggregation Behavior of a Hexameric Quaternary Ammonium Surfactant

  摘要：

  A star-shaped hexameric quaternary ammonium surfactant (PAHB), bearing six hydrophobic chains and six charged hydrophilic headgroups Connected by an amide-type spacer group, was synthesized. The self-assembly behavior of the surfactant in aqueous solution was studied by surface tension, electrical conductivity, isothermal titration microcalorimetry, dynamic light scattering, cryogenic transmission electron microscopy, and NMR techniques. The results reveal that there are two critical aggregate concentrations during the process of aggregation, namely C-1 and C-2. The aggregate transitions are proved to be caused by the changes of the surfactant configuration through hydrophobic interaction among the hydrocarbon,chains. Below, C-1, PAHB may present a star-shaped molecular configuration due to intramolecular electrostatic repulsion among the charged headgroups, and large aggregates with network-like structure are observed. Between C-1 and C-2, the hydrophobic interaction among the hydrophobic chains may become stronger to make the hydrophobic chains of the PAHB molecules curve back and more closely, and then the network like aggregates transfer to large spherical aggregates of similar to 100 nm. Beyond C-2, the hydrophobic interaction may become strong enough to cause the PAHB molecular configuration to turn into a pyramid-like shape, resulting the transition of the spherical large aggregates to spherical micelles of similar to 10 nm. Interestingly, the PAHB displays high emulsification ability to linear fatty alkyls even at very low concentration.

  DOI：

  10.1021/la202453c

文献信息

• ADDITIVE FOR ELECTROPLATING SOLUTIONS, ELECTROPLATING SOLUTION, ELECTROPLATING METHOD AND NOVEL COMPOUND
  申请人：ADEKA CORPORATION

  公开号：US20220220065A1

  公开（公告）日：2022-07-14

  Provided is an additive for an electroplating solution, including a compound represented by the following general formula (1): where R 1 to R 3 each independently represent a group represented by the following general formula (2), A 1 represents an alkanediyl group having 2 to 4 carbon atoms, and “n” represents 0 or 1: where R 4 and R 5 each independently represent a hydrogen atom or an alkyl group having 1 to 4 carbon atoms, A 2 and A 3 each independently represent an alkanediyl group having 2 to 4 carbon atoms, “m” represents an integer of from 1 to 4, and * represents a bonding site.

  提供了一种电镀溶液的添加剂，包括一个由以下通式（1）表示的化合物：其中，R1至R3各自独立地表示由以下通式（2）表示的基团，A1表示具有2至4个碳原子的脂肪二基基团，“n”表示0或1：其中，R4和R5各自独立地表示氢原子或具有1至4个碳原子的烷基基团，A2和A3各自独立地表示具有2至4个碳原子的脂肪二基基团，“m”表示1至4的整数，而“*”表示一个连接位点。