(5-Methoxycarbonylmethylsulfanyl-4',5'-bis-octadecylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-ylsulfanyl)-acetic acid methyl ester | 131274-88-9

• 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: (5-Methoxycarbonylmethylsulfanyl-4',5'-bis-octadecylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-ylsulfanyl)-acetic acid methyl ester
• 英文别名: Methyl 2-[[2-[4,5-bis(octadecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]acetate；methyl 2-[[2-[4,5-bis(octadecylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-dithiol-4-yl]sulfanyl]acetate
• CAS: 131274-88-9
• 化学式: C₄₈H₈₄O₄S₈
• 分子量: 981.721
• InChiKey: VGDMTWHRELAPJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.9
• 重原子数：
  60
• 可旋转键数：
  44
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  255
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  硬脂基溴 在 亚磷酸三乙酯 作用下， 以 环己酮 、 xylene 为溶剂， 生成 (5-Methoxycarbonylmethylsulfanyl-4',5'-bis-octadecylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-ylsulfanyl)-acetic acid methyl ester
  参考文献：
  名称：

  Behavior of bis(alkylthio)tetrathiafulvalene derivatives of Langmuir-Blodgett films upon iodine exposure

  摘要：

  New bis(alkylthio)tetrathiafulvalene (BEDTTTF) derivatives, possessing a strong amphiphilic character, have been synthesized with the goal of building Langmuir-Blodgett (LB) films. Their ability to function as building blocks for conducting LB films is discussed. The films initially appear to be insulating but undergo major (reversible) changes upon exposure to iodine vapor. Their behavior is followed by IR spectroscopy, and small-angle X-ray scattering experiments, before, during, and after iodination. Upon being exposed to iodine vapor, one of these films exhibits transient conducting behavior which was monitored with IR spectroscopy. The appearance of an entirely new phase was also checked by X-ray low-angle measurements. Moreover, this conducting state appears to be built through an intermediate dimer formation step. These results are discussed in the framework of redox potential and reaction speed and in connection with molecular geometry of the brick stone components.

  DOI：

  10.1021/j100154a048

文献信息

• Behavior of bis(alkylthio)tetrathiafulvalene derivatives of Langmuir-Blodgett films upon iodine exposure
  作者：Michel Vandevyver、Monique Roulliay、Jean Philippe Bourgoin、Andre Barraud、Vassilis Gionis、V. C. Kakoussis、G. A. Mousdis、Jean Pierre Morand、Odile Noel

  DOI：10.1021/j100154a048

  日期：1991.1

  New bis(alkylthio)tetrathiafulvalene (BEDTTTF) derivatives, possessing a strong amphiphilic character, have been synthesized with the goal of building Langmuir-Blodgett (LB) films. Their ability to function as building blocks for conducting LB films is discussed. The films initially appear to be insulating but undergo major (reversible) changes upon exposure to iodine vapor. Their behavior is followed by IR spectroscopy, and small-angle X-ray scattering experiments, before, during, and after iodination. Upon being exposed to iodine vapor, one of these films exhibits transient conducting behavior which was monitored with IR spectroscopy. The appearance of an entirely new phase was also checked by X-ray low-angle measurements. Moreover, this conducting state appears to be built through an intermediate dimer formation step. These results are discussed in the framework of redox potential and reaction speed and in connection with molecular geometry of the brick stone components.