thioacetic acid S-[4-(10-hexyl-10H-phenothiazin-3-ylethynyl)phenyl] ester | 1204226-06-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: thioacetic acid S-[4-(10-hexyl-10H-phenothiazin-3-ylethynyl)phenyl] ester
• 英文别名: S-[4-[2-(10-hexylphenothiazin-3-yl)ethynyl]phenyl] ethanethioate
• CAS: 1204226-06-1
• 化学式: C₂₈H₂₇NOS₂
• 分子量: 457.66
• InChiKey: UJXORUMIPFDRCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-乙酰巯基-4-碘苯 、 3-ethylnyl-10-n-hexyl-10H-phenothiazine 在 四(三苯基膦)钯 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以69%的产率得到thioacetic acid S-[4-(10-hexyl-10H-phenothiazin-3-ylethynyl)phenyl] ester
  参考文献：
  名称：

  Synthesis, Electronic Properties, and Self-Assembly on Au{111} of Thiolated Phenylethynyl Phenothiazines

  摘要：

  Thiolated phenylethynyl phenothiazines can be regarded as redox-active "alligator clips". They are readily synthesized from ethynyl phenothiazines and show intense blue-green luminescence upon ultraviolet (UV) excitation. Cyclic voltammetry reveals reversible oxidation, also after the chemisorption of in Situ liberated thiols on gold electrodes. The chemisorption on Au{111} was studied by ellipsometry, contact angle measurements, X-ray photoelectron spectroscopy, and infrared reflection absorption spectroscopy, and the obtained data support the formation of self-assembled monolayers, depending on the structure of the Substrates. These findings classify them as promising candidates for molecular wires switchable by redox manipulation.

  DOI：

  10.1021/cm901514t

文献信息

• Synthesis, Electronic Properties, and Self-Assembly on Au{111} of Thiolated Phenylethynyl Phenothiazines
  作者：Christa S. Barkschat、Svetlana Stoycheva、Michael Himmelhaus、Thomas J. J. Müller

  DOI：10.1021/cm901514t

  日期：2010.1.12

  Thiolated phenylethynyl phenothiazines can be regarded as redox-active "alligator clips". They are readily synthesized from ethynyl phenothiazines and show intense blue-green luminescence upon ultraviolet (UV) excitation. Cyclic voltammetry reveals reversible oxidation, also after the chemisorption of in Situ liberated thiols on gold electrodes. The chemisorption on Au111} was studied by ellipsometry, contact angle measurements, X-ray photoelectron spectroscopy, and infrared reflection absorption spectroscopy, and the obtained data support the formation of self-assembled monolayers, depending on the structure of the Substrates. These findings classify them as promising candidates for molecular wires switchable by redox manipulation.