3,3'-(o-dithiophenyl)-dipropionitrile | 1160124-76-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3,3'-(o-dithiophenyl)-dipropionitrile
• 英文别名: 3-[2-(2-Cyanoethylsulfanyl)phenyl]sulfanylpropanenitrile；3-[2-(2-cyanoethylsulfanyl)phenyl]sulfanylpropanenitrile
• CAS: 1160124-76-4
• 化学式: C₁₂H₁₂N₂S₂
• 分子量: 248.373
• InChiKey: SLXNGRANYWXZEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3'-(o-dithiophenyl)-dipropionitrile 在 盐酸 、 水 作用下， 反应 4.0h， 以89%的产率得到3,3'-(o-dithiophenyl)-dipropionic acid
  参考文献：
  名称：

  TTF and TCNQ analogues derived from a new benzo-fused thiopyranyl building block

  摘要：

  TTF-type and TCNQ-type analogues (9-12) have been prepared from a new benzo-fused thiopyranyl precursor 8. The synthetic conditions of 8 were optimized. An anomaly was observed in the H-1 NMR spectrum of 9. The crystal structures of 9 and 10 show distorted conformations and ordered packing geometries connected by short contacts. Electronic and redox properties of 9-12 were investigated by UV-vis spectroscopy and cyclic voltammetry. Both 9 and 10 exhibited p-type OFET performances. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.101
• 作为产物：
  描述：

  3-溴丙腈 、 1,2-bis(isopropylthio)benzene 在 六甲基磷酰三胺 、 sodium 作用下， 以 苯 为溶剂， 反应 12.0h， 以61%的产率得到3,3'-(o-dithiophenyl)-dipropionitrile
  参考文献：
  名称：

  TTF and TCNQ analogues derived from a new benzo-fused thiopyranyl building block

  摘要：

  TTF-type and TCNQ-type analogues (9-12) have been prepared from a new benzo-fused thiopyranyl precursor 8. The synthetic conditions of 8 were optimized. An anomaly was observed in the H-1 NMR spectrum of 9. The crystal structures of 9 and 10 show distorted conformations and ordered packing geometries connected by short contacts. Electronic and redox properties of 9-12 were investigated by UV-vis spectroscopy and cyclic voltammetry. Both 9 and 10 exhibited p-type OFET performances. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.101

文献信息

• TTF and TCNQ analogues derived from a new benzo-fused thiopyranyl building block
  作者：Zhiming Duan、Zhongming Wei、Wei Xu、Daoben Zhu

  DOI：10.1016/j.tetlet.2009.03.101

  日期：2009.5

  TTF-type and TCNQ-type analogues (9-12) have been prepared from a new benzo-fused thiopyranyl precursor 8. The synthetic conditions of 8 were optimized. An anomaly was observed in the H-1 NMR spectrum of 9. The crystal structures of 9 and 10 show distorted conformations and ordered packing geometries connected by short contacts. Electronic and redox properties of 9-12 were investigated by UV-vis spectroscopy and cyclic voltammetry. Both 9 and 10 exhibited p-type OFET performances. (C) 2009 Elsevier Ltd. All rights reserved.