6-(4,5-Dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene-2-carbaldehyde | 501910-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 6-(4,5-Dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene-2-carbaldehyde
• CAS: 501910-14-1
• 化学式: C₁₅H₁₂OS₂
• 分子量: 272.392
• InChiKey: OUUODGWJAYKMBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  73.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(η(5)-C5H5)2Fe2(CO)2(μ-CO)(μ-CCH3)]BF4 、 6-(4,5-Dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene-2-carbaldehyde 以 二氯甲烷 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  The effect of different bithienyl spacers on the linear and non-linear optical properties of organometallic chromophores derived from [Fe2(η5-C5H5)2(CO)2(μ-CO)(μ-C–CH3)]+ [BF4]−

  摘要：

  Two series of organometallic merocyanines incorporating a variety of bithienyl moieties both as spacers and end groups were synthesised, In the first series the bithienyls function as end groups and were appended to an acceptor derived from [Fe-2(eta (5)-C5H5)(2)(CO)(2)(mu -CO)(mu -C-CH3)](+) [BF4](-). In the second series, ferrocene acting as an organometallic donor was incorporated into the chromophores at the far terminus of the bithienyl spacers. The molecular first hyperpolarisabilities beta of the second series were determined by hyper-Rayleigh scattering and the values range from 429 x 10(-30) esu to 867 x 10-30 esu in dichloromethane. A single crystal X-ray study of [Fe-2(eta (5)-C5H5)(2)(CO)(2)(mu -CO)(2)(mu-(E)-C-CH=CH-7-(thieno[3,2-e][1]benzothiophene))](+) [BF4](-). CH2Cl2 is reported. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00569-6