3,3,6,6-tetramethylsuberinic acid dichloride | 37607-93-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 3,3,6,6-tetramethylsuberinic acid dichloride
• 英文别名: 3,3,6,6-Tetramethylsuberinsaeuredichlorid；2,2,5,5-Tetramethylhexan-1,6-dicarbonsaeuredichlorid；3,3,6,6-tetramethyloctanedioyl dichloride
• CAS: 37607-93-5
• 化学式: C₁₂H₂₀Cl₂O₂
• 分子量: 267.196
• InChiKey: GMMJOMSQQXWGLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3,6,6-tetramethylsuberinic acid dichloride 在 potassium tert-butylate 、 溴 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 53.5h， 生成 2,2,5,5,9,9,12,12-octamethyltricyclo[11.1.0.0^6,8]tetradeca-1(13),6(8)-diene-7,14-dione
  参考文献：
  名称：

  Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity

  摘要：

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.

  DOI：

  10.1021/ol047317e
• 作为产物：
  描述：

  3,3,6,6-tetramethylsuberinic acid 在 磺酰氯 作用下， 反应 6.0h， 以88%的产率得到3,3,6,6-tetramethylsuberinic acid dichloride
  参考文献：
  名称：

  Sterically Stabilized Cyclopropenonophanes and an Electronically Stabilized Cyclopropenethionophane:  Syntheses, Structural Properties, and Reactivity

  摘要：

  The syntheses of sterically stabilized cyclopropenonophanes as well as an electronically stabilized cyclopropenethionophane are reported, and their molecular structures in the solid state are elucidated. The sulfur of the CS moiety in cyclopropenethiones was shown to react as a nucleophile. Temperatures of more than 240 degreesC favor the extrusion of CO in the cyclopropenonophane to afford an alpha,alpha'-tetramethyl-substituted cyclodiyne.

  DOI：

  10.1021/ol047317e

文献信息

• Borgen,G.; Dale,J., Acta Chemica Scandinavica (1947), 1972, vol. 26, p. 952 - 960
  作者：Borgen,G.、Dale,J.

  DOI：——

  日期：——