spiro[benzo-1,3-dithiol-2,2'-[3',3']dimethyl-[2']-(propan-[2'']-ylidene)cyclopropane] | 1041006-49-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: spiro[benzo-1,3-dithiol-2,2'-[3',3']dimethyl-[2']-(propan-[2'']-ylidene)cyclopropane]
• 英文别名: 2',2'-Dimethyl-3'-propan-2-ylidenespiro[1,3-benzodithiole-2,1'-cyclopropane]；2',2'-dimethyl-3'-propan-2-ylidenespiro[1,3-benzodithiole-2,1'-cyclopropane]
• CAS: 1041006-49-8
• 化学式: C₁₄H₁₆S₂
• 分子量: 248.413
• InChiKey: KAULTKKPHQRZFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-噻丁环硫酮,3,3-二甲基-4-(1-甲基亚乙基)- 、 2-(三甲基硅)苯基三氟甲烷磺酸盐 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 1.0h， 以58%的产率得到spiro[benzo-1,3-dithiol-2,2'-[3',3']dimethyl-[2']-(propan-[2'']-ylidene)cyclopropane]
  参考文献：
  名称：

  Reaction of Dithiolactones with Benzyne: A Novel Synthesis of Benzo-1,3-dithioles

  摘要：

  The reaction of benzyne with several kinds of dithiolactones, such as beta-dithiolactone (9), benzothiophene-1-thione (13), 1,2-dithiolane-3-thione (20), and 3,3,5,5-tetramethyl-4-thioxothiolane-2-thione (7), afforded benzo-1,3-dithioles in moderate to good yields, whereas the reaction of benzyne with gamma-thionolactone (16) gave gamma-lactone and diphenyl disulfide.

  DOI：

  10.3987/com-07-11321

文献信息

• Reaction of Dithiolactones with Benzyne: A Novel Synthesis of Benzo-1,3-dithioles
  作者：Kentaro Okuma、Akiko Nojima、Yoshinobu Yokomori

  DOI：10.3987/com-07-11321

  日期：——

  The reaction of benzyne with several kinds of dithiolactones, such as beta-dithiolactone (9), benzothiophene-1-thione (13), 1,2-dithiolane-3-thione (20), and 3,3,5,5-tetramethyl-4-thioxothiolane-2-thione (7), afforded benzo-1,3-dithioles in moderate to good yields, whereas the reaction of benzyne with gamma-thionolactone (16) gave gamma-lactone and diphenyl disulfide.