[4-[2-[2,5-Bis(methylsulfanyl)-4-[2-[4-tri(propan-2-yl)silyloxyphenyl]ethynyl]phenyl]ethynyl]phenoxy]-tri(propan-2-yl)silane | 871334-12-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-[2-[2,5-Bis(methylsulfanyl)-4-[2-[4-tri(propan-2-yl)silyloxyphenyl]ethynyl]phenyl]ethynyl]phenoxy]-tri(propan-2-yl)silane
• 英文别名: [4-[2-[2,5-bis(methylsulfanyl)-4-[2-[4-tri(propan-2-yl)silyloxyphenyl]ethynyl]phenyl]ethynyl]phenoxy]-tri(propan-2-yl)silane
• CAS: 871334-12-2
• 化学式: C₄₂H₅₈O₂S₂Si₂
• 分子量: 715.224
• InChiKey: MLYJHVKNFNAAQR-UHFFFAOYSA-N

物化性质

• 沸点：
  681.4±55.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.04
• 重原子数：
  48
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  69.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-[2-[2,5-Bis(methylsulfanyl)-4-[2-[4-tri(propan-2-yl)silyloxyphenyl]ethynyl]phenyl]ethynyl]phenoxy]-tri(propan-2-yl)silane 在 碘 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到[4-[3,7-Diiodo-2-[4-tri(propan-2-yl)silyloxyphenyl]thieno[2,3-f][1]benzothiol-6-yl]phenoxy]-tri(propan-2-yl)silane
  参考文献：
  名称：

  Linear C2-symmetric polycyclic benzodithiophene: efficient, highly diversified approaches and the optical properties

  摘要：

  Two facile approaches to two new series of the seven-rings fused benzodithiophene-based polycyclic aromatics are developed in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.107
• 作为产物：
  描述：

  1,4-二溴-2,5-二碘苯 在 正丁基锂 作用下， 以 乙醚 为溶剂， 生成 [4-[2-[2,5-Bis(methylsulfanyl)-4-[2-[4-tri(propan-2-yl)silyloxyphenyl]ethynyl]phenyl]ethynyl]phenoxy]-tri(propan-2-yl)silane
  参考文献：
  名称：

  Linear C2-symmetric polycyclic benzodithiophene: efficient, highly diversified approaches and the optical properties

  摘要：

  Two facile approaches to two new series of the seven-rings fused benzodithiophene-based polycyclic aromatics are developed in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.107

文献信息

• Linear C2-symmetric polycyclic benzodithiophene: efficient, highly diversified approaches and the optical properties
  作者：Cui-Hua Wang、Rong-Rong Hu、Shuang Liang、Jia-Hua Chen、Zhen Yang、Jian Pei

  DOI：10.1016/j.tetlet.2005.09.107

  日期：2005.11

  Two facile approaches to two new series of the seven-rings fused benzodithiophene-based polycyclic aromatics are developed in good yields. (c) 2005 Elsevier Ltd. All rights reserved.