2-methyl-2,3-dihydro-1H-benzo[d]cyclopenta[b]thiophene-1-thione | 1235591-25-9

• 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-methyl-2,3-dihydro-1H-benzo[d]cyclopenta[b]thiophene-1-thione
• 英文别名: 2-Methyl-2,3-dihydrocyclopenta[b][1]benzothiole-1-thione
• CAS: 1235591-25-9
• 化学式: C₁₂H₁₀S₂
• 分子量: 218.343
• InChiKey: NACLXTPVNDAVQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-2,3-dihydro-1H-benzo[d]cyclopenta[b]thiophene-1-thione 、 9-重氮基-9H-芴 以 甲苯 为溶剂， 反应 3.0h， 以16%的产率得到1-(9H-fluoren-9-ylidene)-2-methyl-2,3-dihydro-1H-benzo[d]-cyclopenta[b]thiophene
  参考文献：
  名称：

  Rotary Molecular Motors: A Large Increase in Speed through a Small Change in Design

  摘要：

  Reducing the steric interaction between the upper-half and the lower-half of a light-driven rotary molecular motor by decreasing the size of the aromatic moiety in the upper-half from a naphthalene to a benzothiophene results in an almost 3500 times faster rotation.

  DOI：

  10.1021/jo1006976
• 作为产物：
  描述：

  2-methyl-2,3-dihydro-1H-benzo[b]cyclopenta[d]thiophen-1-one 在 tetraphosphorus decasulfide 作用下， 以 甲苯 为溶剂， 反应 2.5h， 以88%的产率得到2-methyl-2,3-dihydro-1H-benzo[d]cyclopenta[b]thiophene-1-thione
  参考文献：
  名称：

  Rotary Molecular Motors: A Large Increase in Speed through a Small Change in Design

  摘要：

  Reducing the steric interaction between the upper-half and the lower-half of a light-driven rotary molecular motor by decreasing the size of the aromatic moiety in the upper-half from a naphthalene to a benzothiophene results in an almost 3500 times faster rotation.

  DOI：

  10.1021/jo1006976

文献信息

• Rotary Molecular Motors: A Large Increase in Speed through a Small Change in Design
  作者：Tatiana Fernández Landaluce、Gábor London、Michael M. Pollard、Petra Rudolf、Ben L. Feringa

  DOI：10.1021/jo1006976

  日期：2010.8.6

  Reducing the steric interaction between the upper-half and the lower-half of a light-driven rotary molecular motor by decreasing the size of the aromatic moiety in the upper-half from a naphthalene to a benzothiophene results in an almost 3500 times faster rotation.