2-methyl-6,7-dihydro-5H-1,4-dithiepine | 5769-50-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methyl-6,7-dihydro-5H-1,4-dithiepine
• 英文别名: 2-methyl-6,7-dihydro-5H-1,4-dithiepin；2-Methyl-1,4-dithia-cyclohept-2-en
• CAS: 5769-50-6
• 化学式: C₆H₁₀S₂
• 分子量: 146.277
• InChiKey: FXQFWOSXLVKMSC-UHFFFAOYSA-N

物化性质

• 沸点：
  236.5±20.0 °C(Predicted)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  1-Chloro-3-prop-1-ynylsulfanylpropane 在 lithium sulfide 作用下， 以 乙醇 、 氨 为溶剂， 反应 2.0h， 以82%的产率得到2-methyl-6,7-dihydro-5H-1,4-dithiepine
  参考文献：
  名称：

  Sukhai, R. S.; Jong, R. de; Verkruijsse, H. D., Recueil des Travaux Chimiques des Pays-Bas, 1981, vol. 100, # 10, p. 368 - 372

  摘要：

  DOI：

文献信息

• Domino reactions of alkane dithiolates with 2,3-dichloro-1-propene in hydrazine hydrate – KOH medium
  作者：Ekaterina P. Levanova、Valentina A. Grabelnykh、Valentina S. Vahrina、Alexander I. Albanov、Lyudmila V. Klyba、Natalia V. Russavskaya、Nikolai A. Korchevin、Igor B. Rozentsveig

  DOI：10.1080/17415993.2013.849704

  日期：2014.3.4

  2,3-Dichloro-1-propene reacts with alkane dithiolates in hydrazine hydrate - KOH medium to produce derivatives of dithiin, dithiepin, chloropropenyl, and allenyl sulfides depending on conditions and dithiolate structure. The formation of the heterocyclic products is a result of possible domino reactions, including a substitution of an allylic chlorine atom, dehydrochlorination, and intramolecular heterocyclization.[GRAPHICS].
• Effect of the chalcogen nature on the reaction of propane-1,3-dichalcogenolates with 2,3-dichloroprop-1-ene
  作者：E. P. Levanova、V. A. Grabel’nykh、V. S. Vakhrina、N. V. Russavskaya、A. I. Albanov、L. V. Klyba、N. A. Korchevin、I. B. Rozentsveig

  DOI：10.1134/s1070428014010023

  日期：2014.1

  The direction of the reaction of propane-1,3-dichalcogenolates with 2,3-dichloroprop-1-ene in the system hydrazine hydrate-KOH depends not only on the conditions but to a greater extent on the chalcogen nature. Dipotassium propane-1,3-dithiolate and propane-1,3-diselenolate give rise to products of substitution of the chlorine atom on the sp (3)-carbon atom, which are capable of undergoing further transformations (domino reaction). Dipotassium propane-1,3-ditellurolate promotes elimination of both chlorine atoms with formation of allene.
• Sukhai, R. S.; Jong, R. de; Verkruijsse, H. D., Recueil des Travaux Chimiques des Pays-Bas, 1981, vol. 100, # 10, p. 368 - 372
  作者：Sukhai, R. S.、Jong, R. de、Verkruijsse, H. D.、Brandsma, L.

  DOI：——

  日期：——