1,1,2,3,4,4-hexa(phenylthio)-1,3-butadiene

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,1,2,3,4,4-hexa(phenylthio)-1,3-butadiene
• 英文别名: 1,1,3,4,4-Pentakis(phenylsulfanyl)buta-1,3-dien-2-ylsulfanylbenzene
• 化学式: C₄₀H₃₀S₆
• 分子量: 703.074
• InChiKey: OULCAXKFUOEQEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丁二炔 、 二苯二硫醚 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.0h， 以42%的产率得到1,1,2,3,4,4-hexa(phenylthio)-1,3-butadiene
  参考文献：
  名称：

  Perthio- and Perseleno-1,3-butadienes, -but-1-ene-3-ynes, and -[3]-cumulenes:  One-Step Syntheses from 1,4-Dilithio-1,3-butadiyne

  摘要：

  Treatment of 1,4-dilithio-1,3-butadiyne (1) with dichalcogenides RSSR or RSeSeR affords dithio- and diseleno-1,3-butadiynes (2, 3), perthio- and perseleno-[3]-cumulenes (4, 5), perthio- and perseleno-1,3-butadienes (6, 7), and/or perthio- and perseleno-but-1-ene-3-ynes (8, 9). The products can be controlled by stoichiometry and temperature, by the presence or absence of oxygen, and by choice of the "R" group. By X-ray crystallography, hexa(methylthio)-1,3-butadiene is highly twisted, with a torsion angle [(Phi(CCCC) of 84.7degrees and an elongated C(2)-C(3) distance of 1.484(3) Angstrom.

  DOI：

  10.1021/ol034258g

文献信息

• Perthio- and Perseleno-1,3-butadienes, -but-1-ene-3-ynes, and -[3]-cumulenes:  One-Step Syntheses from 1,4-Dilithio-1,3-butadiyne
  作者：Eric Block、Frank Tries、Chunhong He、Chuangxing Guo、Mohan Thiruvazhi、Paul J. Toscano

  DOI：10.1021/ol034258g

  日期：2003.4.1

  Treatment of 1,4-dilithio-1,3-butadiyne (1) with dichalcogenides RSSR or RSeSeR affords dithio- and diseleno-1,3-butadiynes (2, 3), perthio- and perseleno-[3]-cumulenes (4, 5), perthio- and perseleno-1,3-butadienes (6, 7), and/or perthio- and perseleno-but-1-ene-3-ynes (8, 9). The products can be controlled by stoichiometry and temperature, by the presence or absence of oxygen, and by choice of the "R" group. By X-ray crystallography, hexa(methylthio)-1,3-butadiene is highly twisted, with a torsion angle [(Phi(CCCC) of 84.7degrees and an elongated C(2)-C(3) distance of 1.484(3) Angstrom.