(E)-2,7-dimethyl-4-oxo-2,5-octadiene | 95485-30-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-2,7-dimethyl-4-oxo-2,5-octadiene
• 英文别名: (E)-2,7-Dimethyl-2,5-octadien-4-one；(E)-2,7-Dimethyl-octa-2,5-dien-4-one；(5E)-2,7-dimethylocta-2,5-dien-4-one
• CAS: 95485-30-6
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: GEGAHQXLGLJTAJ-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-2,7-dimethyl-4-oxo-2,5-octadiene 在 硫酸 作用下， 以31%的产率得到4-异丙基-3,4-二甲基-2-环戊烯-1-酮
  参考文献：
  名称：

  Nazarov reaction of trisubstituted dienones: mechanism involving Wagner-Meerwein shift

  摘要：

  The Nazarov reactions of trisubstituted alpha,alpha'-dienones were studied. Whereas alpha,beta-dimethyl-beta'-alkyl alpha,alpha'-dienones gave 2,3-dimethyl-4-alkyl-2-cyclopentenones when heated in concentrated sulfuric acid, the reaction of beta,beta-dimethyl-beta'-alkyl alpha,alpha'-dienones afforded 3,4-dimethyl-4-alkyl-2-cyclopentenones as the rearranged products. A mechanistic investigation using two deuterated dienones suggests that the Nazarov reactions of the latter dienones are accompanied by Wagner-Meerwein shifts to form the most stable carbocations.

  DOI：

  10.1021/jo00002a047
• 作为产物：
  描述：

  3-甲基-2-丁烯酸乙酯 在 sodium hydride 作用下， 反应 3.0h， 生成 (E)-2,7-dimethyl-4-oxo-2,5-octadiene
  参考文献：
  名称：

  Dimethyl (2-oxo-4-methyl-3-pentenyl)phosphonate as a precursor of .alpha.,.alpha.'-dienones. Short syntheses of (.+-.)-.alpha.-atlantone and (.+-.)-ar-turmerone

  摘要：

  DOI：

  10.1021/jo00208a043

文献信息

• PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20160090534A1

  公开（公告）日：2016-03-31

  To provide a compound having an effect for preventing photolysis of a liquid crystal composition, and having a high solubility in the liquid crystal composition, a liquid crystal composition containing the compound, and a liquid crystal display device including the composition. The compound is represented by formula (1), a liquid crystal composition contains the compound, and a liquid crystal display device includes the composition: M(Z-Q) a (R b ) b (1) wherein, in formula (1), a is 1 to 4, and b is a numerical value: (4−a); M is an organic group; Z is a single bond or the like; and Q is a monovalent group represented by formula (Q-1), (Q-2) or (Q-3), in which R a and R b are hydrogen, alkyl or the like.

  提供一种具有防止液晶组分光解作用的化合物，并在液晶组分中具有很高的溶解度，包括该化合物的液晶组合物和包括该组合物的液晶显示装置。该化合物由式(1)表示，液晶组合物中含有该化合物，液晶显示装置包括该组合物：M(Z-Q)a(Rb)b(1)其中，在式(1)中，a为1至4，b为数值：(4−a)；M为有机基团；Z为单键或类似物；Q为由式(Q-1)、(Q-2)或(Q-3)表示的一价基团，其中Ra和Rb为氢、烷基或类似物。
• MOTOYOSHIYA, JIRO;YAZAKI, TOSHIKAZU;HAYASHI, SADAO, J. ORG. CHEM., 56,(1991) N, C. 735-740
  作者：MOTOYOSHIYA, JIRO、YAZAKI, TOSHIKAZU、HAYASHI, SADAO

  DOI：——

  日期：——
• AXMEDOV, SH. T.;KURBANOV, S. B.;GYULAXMEDOV, L. M.;KURBANOVA, G. S., DOKL. AN AZSSR, 43,(1987) N 9, S. 40-45
  作者：AXMEDOV, SH. T.、KURBANOV, S. B.、GYULAXMEDOV, L. M.、KURBANOVA, G. S.

  DOI：——

  日期：——
• US9631142B2
  申请人：——

  公开号：US9631142B2

  公开（公告）日：2017-04-25
• Nazarov reaction of trisubstituted dienones: mechanism involving Wagner-Meerwein shift
  作者：Jiro Motoyoshiya、Toshikazu Yazaki、Sadao Hayashi

  DOI：10.1021/jo00002a047

  日期：1991.1

  The Nazarov reactions of trisubstituted alpha,alpha'-dienones were studied. Whereas alpha,beta-dimethyl-beta'-alkyl alpha,alpha'-dienones gave 2,3-dimethyl-4-alkyl-2-cyclopentenones when heated in concentrated sulfuric acid, the reaction of beta,beta-dimethyl-beta'-alkyl alpha,alpha'-dienones afforded 3,4-dimethyl-4-alkyl-2-cyclopentenones as the rearranged products. A mechanistic investigation using two deuterated dienones suggests that the Nazarov reactions of the latter dienones are accompanied by Wagner-Meerwein shifts to form the most stable carbocations.