dimethyl 3,3-diphenyl-3H-1,2-dithiole-4,5-dicarboxylate | 106162-67-8

• 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: dimethyl 3,3-diphenyl-3H-1,2-dithiole-4,5-dicarboxylate
• 英文别名: dimethyl 5,5-diphenyldithiole-3,4-dicarboxylate
• CAS: 106162-67-8
• 化学式: C₁₉H₁₆O₄S₂
• 分子量: 372.466
• InChiKey: GUYACURARXSFKS-UHFFFAOYSA-N

物化性质

• 熔点：
  104 °C
• 沸点：
  488.6±45.0 °C(predicted)
• 密度：
  1.335±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl 3,3-diphenyl-3H-1,2-dithiole-4,5-dicarboxylate 在 镍 作用下， 以75%的产率得到dimethyl 2-benzhydrylsuccinate
  参考文献：
  名称：

  Thiocarbonyl S-sulfides, a new class of 1,3-dipoles

  摘要：

  DOI：

  10.1021/ja00237a047
• 作为产物：
  描述：

  二苯基甲烷硫酮 、 alkaline earth salt of/the/ methylsulfuric acid 反应 580.0h， 生成 dimethyl 3,3-diphenyl-3H-1,2-dithiole-4,5-dicarboxylate
  参考文献：
  名称：

  Thiocarbonyl S-sulfides, a new class of 1,3-dipoles

  摘要：

  DOI：

  10.1021/ja00237a047

文献信息

• The first stable 1,2-thiastannete and 1,2-selenastannete: their syntheses and crystal structures
  作者：Norihiro Tokitoh、Yasusuke Matsuhashi、Renji Okazaki

  DOI：10.1039/c39930000407

  日期：——

  Thermal decomposition of overcrowded 1,2,4,3-trichalcogenastannolanes 1 resulted in the formation of the first stable 1,2-chalcogenastannete derivatives 3via[2 + 2]cycloaddition of intermediary stannanethione and stannanselone 2; the molecular structures of 3 were determined by X-ray crystallographic analysis.

  过度拥挤的 1,2,4,3-三钙原石杉烷 1 受热分解后，通过中间体石杉硫酮和石杉硒酮 2 的[2 + 2]环加成，形成了首个稳定的 1,2-三钙原石杉烷衍生物 3；通过 X 射线晶体分析法确定了 3 的分子结构。
• The Conversion of Thioketones to 1,2,4,5-Tetrathianes and Its Mechanism
  作者：Rolf Huisgen、Jochen Rapp

  DOI：10.3987/com-96-7706

  日期：——

  Thiobenzophenone and adamantanethione react with sulfur (1:1) under catalysis by sodium thiophenoxide in acetone at rt furnishing 1,2,4,5-tetrathianes (9 and 43) in high yields. An attack of the oligothiolate (R-S-x(-)) on the C-atom of drop C=S is proposed as initiating step. Thione S-sulfides (R2C=S+-S-, thiosulfines) cannot be intermediates, since they combine fast with thiones affording 1,2,4-trithiolanes. With more sulfur, adamantanethione produces the 1,2,3,5,6-pentathiepane-bis(spiroadamantane) (44) which interconverts with the tetrathiane, but not with the 1,2,4-trithiolane, in an equilibrium catalyzed by R-S-x(-). According to C-13 NMR evidence, the tetrathianebis(spiroadamantane) occurs in a twist conformation which inverts with Delta G not equal 16.0 kcal mol(-1).
• Huisgen, Rolf, Phosphorus, Sulfur and Silicon and the Related Elements, 1989, vol. 43, # 1-2, p. 63 - 94
  作者：Huisgen, Rolf

  DOI：——

  日期：——
• Okazaki, Renji; Matsuhashi, Yasusuke; Matsumoto, Tsuyoshi, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 74, # 1-4, p. 397 - 398
  作者：Okazaki, Renji、Matsuhashi, Yasusuke、Matsumoto, Tsuyoshi、Saito, Masaichi、Manmaru, Kyoko、Tokitoh, Norihiro

  DOI：——

  日期：——
• Tokitoh Norihiro, Matsumoto Tsuyoshi, Okazaki Renji, Heterocycles, 40 (1995) N 1, S 127-130
  作者：Tokitoh Norihiro, Matsumoto Tsuyoshi, Okazaki Renji

  DOI：——

  日期：——