bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide | 56047-57-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide
• 英文别名: Bis(5,5-dimethyl-2-cyclohexen-1-on-3-yl)sulfid；3-(5,5-dimethyl-3-oxocyclohexen-1-yl)sulfanyl-5,5-dimethylcyclohex-2-en-1-one
• CAS: 56047-57-5
• 化学式: C₁₆H₂₂O₂S
• 分子量: 278.415
• InChiKey: MMKYHHISONOVFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide 以56%的产率得到
  参考文献：
  名称：

  TAMURA YASUMITSU; KIYOKAWA HIROSHI; KITA YASUYUKI, CHEM. AND PHARM. BULL., 1979, 27, NO 3, 676-681

  摘要：

  DOI：
• 作为产物：
  描述：

  3-N,N-dimethylamino-5,5-dimethyl-2-cyclohexene-1-thione 在 溶剂黄146 作用下， 反应 2.5h， 以0.2 g的产率得到bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide
  参考文献：
  名称：

  Timokhina, L. V.; Usov, V. A.; Lavlinskaya, L. I., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 1, p. 108 - 112

  摘要：

  DOI：

文献信息

• Photo-reaction of .BETA.-ketovinyl sulfur compounds.
  作者：YASUMITSU TAMURA、HIROSHI KIYOKAWA、YASUYUKI KITA

  DOI：10.1248/cpb.27.676

  日期：——

  Photolysis of mono-and di-β-ketovinyl sulfones in benzene solution caused an extrusion of sulfur dioxide to give the corresponding β-phenyl enone and bis-enones in moderate yields, respectively, and that of di-β-ketovinyl sulfide and sulfoxide was also examined.

  在苯溶液中光解单-和二-β-酮基砜会导致二氧化硫的挤出，分别以中等产率得到相应的 β-苯基烯酮和双烯酮，还考察了二β-酮基砜和亚砜的光解情况。
• Dalgaard,L.; Lawesson,S.-O., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1974, vol. B28, # 9, p. 1077 - 1090
  作者：Dalgaard,L.、Lawesson,S.-O.

  DOI：——

  日期：——
• ——
  作者：L. V. Timokhina、G. M. Panova、L. V. Kanitskaya、O. V. Sokol'nikova、D. -S. D. Toryashinova、M. G. Voronkov

  DOI：10.1023/a:1013837026547

  日期：——

  Synthetic routes to bis(5,5-dimethyl-3-thioxo-1-cyclohexenyl) sulfide have been studied. The title compound can be obtained by reaction of 3-chloro-5,5-dimethyl-2-cyclohexenethione with sodium thiosulfate and by condensation of 3-mercapto-5,5-dimethyl-2-cyclohexenethione. The reaction of bis(5,5-dimethyl-3-oxo-1-cyclohexenyl) sulfide with hydrogen sulfide and hydrogen chloride yields 3-oxo-3'-thioxobis(5,5-dimethyl-1-cyclohexenyl) sulfide.
• 1,7-Dithioxo systems. Reaction of bis(5,5-dimethyl-3-thioxo-cyclohex-1-en-1-yl) sulfide with amines
  作者：L. V. Timokhina、O. V. Sokol’nikova、L. V. Kanitskaya、M. P. Yashchenko、M. G. Voronkov

  DOI：10.1134/s1070428008040118

  日期：2008.4

  Reactions of amines (N,N-dimethylethane-1,2-diamine, benzylamine, aniline) with bis(5,5-dimethyl-3-thioxocyclohex-1-en-1-yl) sulfide result in cleavage of the sulfide bond and formation of the corresponding 3-amino-5,5-dimethylcyclohex-2-ene-1-thiones. Aminolysis of bis(5,5-dimethyl-3-oxocyclohex-1-en-1-yl) sulfide occurs at the carbonyl groups with conservation of the divinyl sulfide fragment.
• TIMOXINA, L. V.;USOV, V. A.;LAVLINSKAYA, L. I.;VORONKOV, M. G., ZH. ORGAN. XIMII, 1985, 21, N 1, 119-124
  作者：TIMOXINA, L. V.、USOV, V. A.、LAVLINSKAYA, L. I.、VORONKOV, M. G.

  DOI：——

  日期：——