2,3-bis(3-hydroxypropylthio)maleonitrile | 170463-65-7

• 分子结构分类: 有机化合物
• 英文名称: 2,3-bis(3-hydroxypropylthio)maleonitrile
• CAS: 170463-65-7
• 化学式: C₁₀H₁₄N₂O₂S₂
• 分子量: 258.365
• InChiKey: ATJMOPFFRTWHLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  16.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  88.04
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,3-bis(3-hydroxypropylthio)maleonitrile 在 magnesium di-n-butanolate 作用下， 反应 12.0h， 生成 [2,3,7,8,12,13,17,18-octakis(3-hydroxypropylthio)porphyrazinato] magnesium(II)
  参考文献：
  名称：

  The synthesis and characterization of a shish kebab type oligomer with eight [3-thiopropyl 2-fluoro-5-(trifluoromethyl)phenylacetate] units

  摘要：

  The functionality of hydroxypropylsulfanyl units of metal-free and metallo-porphyrazines, which are new compounds (M = 2H, Mg, Co, Cu or Zn), has been produced by esterification with a carboxylate group such as 2-fluoro-5-(trifluoromethyl)phenylacetic acid. The symmetrically functionalized porphyrazines, with eight ester units, are soluble in common organic solvents such as chloroform, dichloromethane, tetrahydrofuran, dimethylsulfoxide, acetone and toluene, and insoluble in water and n-hexane. Chloro-octakis[3-thiopropyl 2-fluoro-5-(trifluoromethyl)phenylacetate] porphyrazinato iron(III) (FePzCl) was prepared by the reaction of the metal-free porphyrazine and iron(II) acetate, followed by treatment with HCl solution. The monomeric bis-axial complex [FePz(py)(2)], as well as the bridged complex [FePz(pyz)](n), were formed as stable complexes by reacting FePzCl with pyridine and pyrazine, respectively. The novel compounds have been characterized by several spectroscopic techniques, such as FT-IR, UV-Vis, mass, H-1, C-13 and F-19 NMR, and elemental analysis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.07.019
• 作为产物：
  描述：

  disodium maleonitriledithiolato 、 3-氯-1-丙醇 以 乙醇 为溶剂， 反应 72.0h， 以82%的产率得到2,3-bis(3-hydroxypropylthio)maleonitrile
  参考文献：
  名称：

  Enrichment of solubility by esterification: Metal-free and metallo-porphyrazines with polyfluorinated units

  摘要：

  我们从 2,3-双(3-羟丙基硫代)马来腈合成了外围位置带有八个羟丙基硫单位的无金属和金属卟吩（M = 2H、Mg、Cu、Zn 或 Co）。在二环己基碳二亚胺和甲苯对磺酸的存在下，卟吩衍生物与 3,5-双（三氟甲基）苯甲酸发生酯化反应，证明了羟丙基单元的反应活性。具有八个酯单元的对称卟嗪衍生物可溶于氯仿、二氯甲烷、四氢呋喃、丙酮和甲苯等常见有机溶剂，而不溶于水和正己烷。这些复合物通过多种光谱方法进行了表征。

  DOI：

  10.1007/s11243-012-9658-4

文献信息

• Face- and edge-on orientations of octa-acid and -alcohol substituted tetraazaporphyrins in Langmuir and Langmuir–Blodgett monolayers
  作者：Mohamed Ahmida、Scott Dufour、Hui-Sheng Li、Himadri Kayal、Rolf Schmidt、Christine E. DeWolf、S. Holger Eichhorn

  DOI：10.1039/c2sm27064a

  日期：——

  3-dimensional aggregates based on observations by Brewster angle microscopy (BAM). All octa-acid TAPs are prone to spontaneous self-assembly that is attributed to strong interactions between carboxylic acid groups. Aggregation and spontaneous self-assembly can be minimized by deprotonation of the carboxylic acid groups but all octa-acid TAPs become water soluble when more than four carboxylic acid groups

  几乎所有的Langmuir和Langmuir-Blodgett（LB）单层中的多环芳族染料，例如酞菁和四氮杂卟啉（TAP），都以大环的边缘定向排列，特别是在较高的表面压力下冷凝时。这里展示的是一种新型的两亲性TAP，它包含八个末端羧酸基团，它们通过癸基间隔基，可形成稳定的Langmuir和LB单层，并具有大环的平面取向。根据测得的每个分子的表面积和通过椭偏和AFM测定的膜厚，提出了蜘蛛状分子构象。该构象允许所有八个末端羧酸和羧酸酯基团连接到极性界面，而芳香族大环位于正交癸基链的顶部以生成微分离的层结构。基于布鲁斯特角显微镜（BAM）的观察，具有较短烷基间隔基的八酸TAP在压缩后在Langmuir单层中形成边缘结构，并且不含3维聚集体。所有八酸TAP均易于自组装，这归因于羧酸基团之间的强相互作用。水可溶性当四个以上的羧酸基团在pH去质子高于8的Cu（II还制备了八酸TAPs的螯合物，但由于其
• Cis- and trans-[SnR2] configurational isomers in diorganotin(IV) complexes containing mono or bidentate N-donor ligands
  作者：Badri Z. Momeni、Sadegh Kheirandish、Niloofar Aghamohammadi、Vahid Noroozi、Behrouz Notash、Frank Rominger

  DOI：10.1016/j.poly.2013.07.011

  日期：2013.10

  of 4-tert-butylpyridine (bupy) affords the 1:2 adduct of [SnPh2Cl2(bupy)2] (4). The solid state X-ray determination of complex [SnEt2Cl2(bu2bpy)] (1) revealed that the complex 1 contains the hexa- coordinated tin(IV) atom in an octahedral geometry with the trans-[SnEt2] configuration while the X-ray crystal structure determination of complex [SnPh2Cl2(bu2bpy)] (3) reveals that the tin atom is hexa-coordinated

  二有机锡的反应（IV）配合物的SNR 2氯2与4,4'-二-的二齿吡啶基配体（R =的Et中，Ph）叔丁基-2,2'-联吡啶（BU 2联吡啶）或phendione（苯二酮= 1,10-菲咯啉-5,6-二酮）导致形成[SnR 2 Cl 2（NN）R = Et，NN = bu 2 bpy（1）;的六配位1：1加合物。 R = Et，NN =苯二酮（2）; R = Ph，NN = bu 2 bpy（3）}。另一方面，SnPh 2 Cl 2与相应的4-叔单齿配体的反应丁基丁基吡啶（bupy）提供[SnPh 2 Cl 2（bupy）2 ]（4）的1：2加合物。固态X射线测定络合物[SnEt 2 Cl 2（bu 2 bpy）]（1）显示，络合物1含有八面体几何结构的六配位锡（IV）原子，具有反式-[SnEt 2 ]。 X射线晶体结构测定复杂[SnPh 2 Cl 2（bu 2 bpy）]（3）表明，锡