乙基-环己-3-烯基醚 | 106421-17-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 乙基-环己-3-烯基醚
• 英文名称: ethyl-cyclohex-3-enyl ether
• 英文别名: 4-Aethoxy-cyclohexen-(1)；Δ³-Tetrahydrophenetol；Aethyl-cyclohex-3-enyl-aether；4-Ethoxycyclohexene
• CAS: 106421-17-4
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: OCKRQDBWYBJGDX-UHFFFAOYSA-N

物化性质

• 熔点：
  146-147 °C
• 沸点：
  154.4±29.0 °C(Predicted)
• 密度：
  0.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  乙基-环己-3-烯基醚 在 氢溴酸 作用下， 生成 1,4-dibromocyclohexane 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  v. Braun; Hahn, Chemische Berichte, 1922, vol. 55, p. 3775

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基环己酮乙二醇缩醛 在 吡啶 、 氢氧化钾 、 sodium tetrahydroborate 、 草酸 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 、 水 、 二甲基亚砜 为溶剂， 生成 乙基-环己-3-烯基醚
  参考文献：
  名称：

  在化学化作用下从1,4-二烷氧基环己烷的气相MH +离子中消除醇的邻氨基苯甲酸协助的直接证据。实验与理论

  摘要：

  trans-1,4-二烷氧基环己烷在化学电离(CI)过程中产生非常丰富的[MH - ROH]+离子，这与顺式异构体形成鲜明对比，表明在转移二醚的MH+离子中醇消除过程中的邻助效应。通过碰撞诱导解离(CID)测量，从各种适当氘标记的立体异构的1-乙氧基-4-甲氧基环己烷获得的[MH - ROH]+离子，表明形成了对称的二环乙基和甲基氧鎓离子，这是通过顺式二醚中的邻助助醇消除形成的。另一方面，这些测量表明，顺式异构体产生异构的单环O-质子化的4-烷氧基环己烯阳离子，其中2和3位（以及5和6位，1和4位）的氢原子不等效。两种结果，即顺式二醚的CI质谱中对称的二环结构和[MH - ROH]+离子的高丰度，与顺式异构体中的非对称单环结构和这些离子的低丰度形成对比，被认为是气相离子解离过程中邻助效应的直接证据。MP3/6-31G*//6-31G*级别的从头计算支持在trans-1-乙氧基-4-甲氧基环己烷中观察到的邻助消除机制，但也显示邻助和非邻助消除机制之间的能量差异很小（约2-3 kcal mol-1）（1 cal = 4.184 J）。

  DOI：

  10.1039/a605638e

文献信息

• Polyvinyl alcohol type resin, monolayer film and laminate
  申请人：Pucci Mark

  公开号：US20080200633A1

  公开（公告）日：2008-08-21

  A polyvinyl alcohol type resin, which renders possible preparation of a packaging material having high gas barrier property under a high humidity condition even as a monolayer film, is provided. The polyvinyl alcohol (PVA) type resin of the invention has at least a PVA structural unit and also has an alicyclic structural unit in the main chain. A monolayer film containing this PVA type resin and a laminate containing at least one layer comprising this PVA type resin can be used as a packaging material which shows high gas barrier property even under a high humidity condition.
• THERMALLY-CONDUCTIVE STRUCTURAL ADHESIVE FOR NEW ENERGY POWER BATTERY AND METHOD OF PREPARING SAME
  申请人：Shenzhen Goldlink Tongda Electronics Co., Ltd.

  公开号：US20220393264A1

  公开（公告）日：2022-12-08

  A thermally-conductive structural adhesive for new energy power batteries, including: composition A including 3.3-14 wt. % of a block polymerized telechelic carboxyl compound and/or a block polymerized telechelic amino compound; 0.1-1.0 wt. % of a coupling agent and/or a modifier; 0-1.6 wt. % of curing accelerator; 84-92 wt. % of a thermally-conductive powder; and 0.3-3.0 wt. % of a flame retardant agent; and composition B including 3.3-14 wt. % of a block polymerized telechelic isocyanate compound and/or a block polymerized telechelic epoxy compound; 0-1.0 wt. % of a coupling agent and/or a modifier; 0-1.6 wt. % of a curing accelerator; 84-92 wt. % of a thermally-conductive powder; and 0.3-3 wt. % of a flame retardant agent. The composition A and the composition B are mixed evenly in a weight or volume ratio of 1:(0.25-2) and cured to obtain the thermally-conductive structural adhesive. A preparation of the thermally-conductive structural adhesive is also provided.
• US7838609B2
  申请人：——

  公开号：US7838609B2

  公开（公告）日：2010-11-23
• Direct evidence for anchimeric assistance in alcohol elimination from gas-phase MH+ ions of 1,4-dialkoxycyclohexanes under chemical ionisation. Experiment and theory
  作者：Ronit Shvily、Thomas Müller、Yitzhak Apeloig、Asher Mandelbaum

  DOI：10.1039/a605638e

  日期：——

  trans-1,4-Dialkoxycyclohexanes afford very abundant [MH - ROH]+ ions upon chemical ionisation (CI), in contrast to the cis-isomers, suggesting anchimeric assistance in the alcohol elimination from the MH+ ions of the trans-diethers. Collision induced dissociation (CID) measurements of the [MH - ROH]+ ions, obtained from various suitably deuterium labelled stereoisomeric 1-ethoxy-4-methoxycyclohexanes, indicate formation of symmetrical bicyclic ethyl and methyl oxonium ions by an anchimerically assisted alcohol elimination from the trans-diethers. On the other hand these measurements suggest that the cis-isomers afford isomeric monocyclic O-protonated 4-alkoxycyclohexene cations, in which the hydrogens at positions 2 and 3 (as well as those at positions 5 and 6, and 1 and 4) are not equivalent. The two results, namely the symmetrical bicyclic structure and the high abundance of the [MH - ROH]+ ions in the CI mass spectra of the trans-diethers, in contrast to the non-symmetrical monocyclic structure and low abundance of these ions in the cis-isomers, are suggested to be direct evidence for anchimeric assistance in a gas-phase ion dissociation process. Ab initio calculations at the MP3/6-31G*//6-31G* level support the anchimerically assisted elimination mechanism observed in trans-1-ethoxy-4-methoxycyclohexane, but also show that the energy difference between the anchimerically assisted and non-assisted elimination mechanisms is small (ca. 2–3 kcal mol-1) (1 cal = 4.184 J).

  trans-1,4-二烷氧基环己烷在化学电离(CI)过程中产生非常丰富的[MH - ROH]+离子，这与顺式异构体形成鲜明对比，表明在转移二醚的MH+离子中醇消除过程中的邻助效应。通过碰撞诱导解离(CID)测量，从各种适当氘标记的立体异构的1-乙氧基-4-甲氧基环己烷获得的[MH - ROH]+离子，表明形成了对称的二环乙基和甲基氧鎓离子，这是通过顺式二醚中的邻助助醇消除形成的。另一方面，这些测量表明，顺式异构体产生异构的单环O-质子化的4-烷氧基环己烯阳离子，其中2和3位（以及5和6位，1和4位）的氢原子不等效。两种结果，即顺式二醚的CI质谱中对称的二环结构和[MH - ROH]+离子的高丰度，与顺式异构体中的非对称单环结构和这些离子的低丰度形成对比，被认为是气相离子解离过程中邻助效应的直接证据。MP3/6-31G*//6-31G*级别的从头计算支持在trans-1-乙氧基-4-甲氧基环己烷中观察到的邻助消除机制，但也显示邻助和非邻助消除机制之间的能量差异很小（约2-3 kcal mol-1）（1 cal = 4.184 J）。
• v. Braun; Hahn, Chemische Berichte, 1922, vol. 55, p. 3775
  作者：v. Braun、Hahn

  DOI：——

  日期：——