2-<(3-hydroxybenzothiophen-2-yl)methylene>benzothiophen-3(2H)-one | 27751-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-<(3-hydroxybenzothiophen-2-yl)methylene>benzothiophen-3(2H)-one
• 英文别名: 2-(3-hydroxybenzothienylmethylene)thioindoxyl；2-[(3-hydroxybenzo[b]thiophen-2-yl)methylene]benzo[b]thiophen-3(2H)-one；(2E)-2-[(3-hydroxy-1-benzothiophen-2-yl)methylidene]-1-benzothiophen-3-one
• CAS: 27751-84-4
• 化学式: C₁₇H₁₀O₂S₂
• 分子量: 310.397
• InChiKey: KFALVAURMPUXTP-OQLLNIDSSA-N

物化性质

• 熔点：
  252 °C(Solv: acetone (67-64-1))
• 沸点：
  545.2±50.0 °C(Predicted)
• 密度：
  1.519±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 2-<(3-hydroxybenzothiophen-2-yl)methylene>benzothiophen-3(2H)-one 以 乙醚 为溶剂， 反应 18.0h， 以0.1 g的产率得到2-(3-methoxy-benzo[b]thiophen-2-ylmethylene)-benzo[b]thiophen-3-one
  参考文献：
  名称：

  Acheson, R. Morrin; Cooper, Martin W., Journal of the Chemical Society. Perkin transactions I, 1980, p. 1185 - 1193

  摘要：

  DOI：
• 作为产物：
  描述：

  3-bromothiochroman-4-one S-oxide 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 生成 2-<(3-hydroxybenzothiophen-2-yl)methylene>benzothiophen-3(2H)-one
  参考文献：
  名称：

  MacKenzie, Neil E.; Thomson, Ronald H., Journal of the Chemical Society. Perkin transactions I, 1982, p. 395 - 402

  摘要：

  DOI：

文献信息

• ANTI-NEURODEGENERATIVE DISEASE AGENT
  申请人：Ohta Hitomi

  公开号：US20120035187A1

  公开（公告）日：2012-02-09

  The present invention has an object to provide a novel agent for anti-neurodegenerative diseases and solves the object by providing an agent for anti-neurodegenerative diseases containing, as an effective ingredient, the compound(s) represented by the following General formula 1: wherein in General formula 1, R 1 through R 3 independently represent a hydrogen atom or an appropriate substituent; Z 1 represents a heterocyclic ring and Z 2 represents the same or different heterocyclic or aromatic ring as in Z 1 , wherein the heterocyclic and aromatic rings optionally have a substituent; represents an integer of 0, 1 or 2; p represents an integer of 0 or 1, with the proviso that p is 1 when o is 0 or 2, and p is 0 when o is 1; R 1 and R 2 do not exist when o is 0, while, when p is 0, R 3 does not exist and the binding between the carbon atom to which R 2 binds and Z 2 is a single bond; X 1 − represents an appropriate counter anion and q represents an integer of 1 or 2.
• Acheson, R. Morrin; Cooper, Martin W., Journal of the Chemical Society. Perkin transactions I, 1980, p. 1185 - 1193
  作者：Acheson, R. Morrin、Cooper, Martin W.

  DOI：——

  日期：——
• MacKenzie, Neil E.; Thomson, Ronald H., Journal of the Chemical Society. Perkin transactions I, 1982, p. 395 - 402
  作者：MacKenzie, Neil E.、Thomson, Ronald H.

  DOI：——

  日期：——