(E)-hex-4-enyl acetate | 42125-34-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (E)-hex-4-enyl acetate
• 英文别名: 6-Acetoxy-(E)-2-hexene；[(E)-hex-4-enyl] acetate
• CAS: 42125-34-8
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: SXIMDPDAXHQFFD-ONEGZZNKSA-N

物化性质

• LogP：
  2.400 (est)
• 保留指数：
  1024.7;1006.3;1019.5;1019.5;1012.5

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-hex-4-enyl acetate 在 铂 sodium periodate 、 双氧水 、 氧气 、 borane-d3 、 碳酸氢钠 、 二苯二硫醚 、 lithium diisopropyl amide 作用下， 生成
  参考文献：
  名称：

  大环内酯类抗生素布雷菲德菌素A生物合成中的非立体特异性氢交换。

  摘要：

  DOI：

  10.1021/ja00269a054
• 作为产物：
  描述：

  Ethyl 4-hexenoate 在 4-二甲氨基吡啶 lithium aluminium tetrahydride 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 (E)-hex-4-enyl acetate
  参考文献：
  名称：

  大环内酯类抗生素布雷菲德菌素A生物合成中的非立体特异性氢交换。

  摘要：

  DOI：

  10.1021/ja00269a054

文献信息

• An Alternative Mechanism for the Cobalt-Catalyzed Isomerization of Terminal Alkenes to (<i>Z</i>)-2-Alkenes
  作者：Anastasia Schmidt、Alexander R. Nödling、Gerhard Hilt

  DOI：10.1002/anie.201409902

  日期：2015.1.12

  The cobalt‐catalyzed selective isomerization of terminal alkenes to the thermodynamically less‐stable (Z)‐2‐alkenes at ambient temperatures takes place by a new mechanism involving the transfer of a hydrogen atom from a Ph2PH ligand to the starting material and the formation of a phosphenium complex, which recycles the Ph2PH complex through a 1,2‐H shift.

  在环境温度下，末端烯烃钴催化选择性异构化为热力学上较不稳定的（Z）-2-烯烃是通过一种新机制进行的，该机制涉及将氢原子从Ph 2 PH配体转移至起始原料和complex络合物的形成，可通过1,2-H转变来回收Ph 2 PH络合物。
• METHOD FOR MANUFACTURING KETONE
  申请人：Kaneda Kiyotomi

  公开号：US20120197036A1

  公开（公告）日：2012-08-02

  A method for manufacturing a ketone, includes oxidizing an internal olefin or a cyclic olefin having a functional group containing a hetero atom and one carbon-carbon double bond or more at a position other than terminals of a molecule thereof in an amide-based solvent in the presence of water, a palladium catalyst, and molecular oxygen, without oxidizing the functional group, thereby bonding an oxo group to at least one of the carbon atoms constituting the carbon-carbon double bond. The amide-based solvent is represented by formula (1): wherein R 1 represents an alkyl group having 1 to 4 carbon atoms; R 2 and R 3 each independently represent an alkyl group having 1 to 4 carbon atoms or an aryl group; and when R 1 and R 2 are alkyl groups, R 1 and R 2 may be bonded to each other to form a ring structure.

  一种制备酮的方法，包括在酰胺基溶剂中，在水、钯催化剂和分子氧的存在下氧化具有异原子和一个或多个碳碳双键的内部烯烃或环烯烃，其功能团位于分子的端部以外的位置，而不氧化功能团，从而将氧代基键合到构成碳碳双键的至少一个碳原子上。酰胺基溶剂由式（1）表示：其中R1代表具有1至4个碳原子的烷基基团；R2和R3各自独立地代表具有1至4个碳原子的烷基基团或芳基；当R1和R2为烷基基团时，R1和R2可以结合在一起形成环结构。
• Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same
  申请人：Kuraray Co., Ltd.

  公开号：EP0950652A1

  公开（公告）日：1999-10-20

  The present invention provides a cis-configurational unsaturated ester represented by the formula (1)    (where R is a methyl group or a phenyl group, and n is 1 or 2) and also provides a fragrance composition containing the cis-configurational unsaturated ester in an effective amount. The cis-configurational unsaturated ester represented by the formula (1) can be produced by reacting a cyclic vinyl ether represented by the formula (2a)    (where n is defined as above) with a Grignard reagent represented by the formula (3a)         RMgX     (3a) (where R is defined as above, and X is a chlorine atom, a bromine atom or an iodine atom) in the presence of a triarylphosphine and not more than 0.05 mol of a nickel compound per one mole of the cyclic vinyl ether represented by the formula (2a) to give a cis-configurational unsaturated alcohol represented by the formula (4a)    (where n and R are defined as above); and subjecting this cis-configurational unsaturated alcohol to acylation with acetic acid or a derivative thereof to give the cis-configurational unsaturated esters represented by the formula (1).

  本发明提供了一种顺式构型不饱和酯，由式（1）表示 (其中 R 为甲基或苯基，n 为 1 或 2）。 并提供了一种含有有效量顺式结构不饱和酯的香料组合物。由式（1）代表的顺式构型不饱和酯可通过以下方法制得 使式（2a）代表的环乙烯基醚反应 (其中 n 的定义同上）与式 (3a) 所代表的格氏试剂反应制得 RMgX (3a) (其中 R 的定义同上，X 为氯原子、溴原子或碘原子） 在三芳基膦和每 1 摩尔式（2a）所代表的环乙烯基醚中含有不超过 0.05 摩尔镍化合物的情况下，生成式（4a）所代表的顺式构型不饱和醇 (其中 n 和 R 的定义同上）；以及 将顺式构型不饱和醇与乙酸或其衍生物进行酰化，得到式（1）代表的顺式构型不饱和酯。
• Compaction material for synthetic lawn, process for its production and use
  申请人：Franplast S.R.L.

  公开号：EP1386944A1

  公开（公告）日：2004-02-04

  The present invention relates to a compaction material for synthetic lawn which comprises a thermoplastic elastomer and to a process for preparing it. Furthermore, the present invention relates to the use of said material to give elasticity to a synthetic lawn. The preferred material comprises a styrene block elastomer, ethylene-vinyl acetate copolymer, paraffin oil and calcium carbonate as a filler.

  本发明涉及一种由热塑性弹性体组成的合成草坪压实材料及其制备工艺。此外，本发明还涉及使用上述材料赋予合成草坪弹性。优选材料包括苯乙烯嵌段弹性体、乙烯-醋酸乙烯共聚物、石蜡油和作为填料的碳酸钙。
• METHOD FOR PRODUCING KETONE
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2487149A1

  公开（公告）日：2012-08-15

  A method for manufacturing a ketone, comprising: oxidizing an internal olefin or a cyclic olefin having a functional group containing a hetero atom and one carbon-carbon double bond or more at a position other than terminals of a molecule thereof in an amide-based solvent in the presence of water, a palladium catalyst, and molecular oxygen, without oxidizing the functional group, thereby bonding an oxo group to at least one of the carbon atoms constituting the carbon-carbon double bond, the amide-based solvent being represented by the following formula (1) : (in the formula (1), R1 represents an alkyl group having 1 to 4 carbon atoms; R2 and R3 each independently represent an alkyl group having 1 to 4 carbon atoms or an aryl group; and when R1 and R2 are alkyl groups, R1 and R2 may be bonded to each other to form a ring structure).

  一种制造酮的方法，包括：在水、钯催化剂和分子氧的存在下，在酰胺基溶剂中氧化内烯烃或环状烯烃，该内烯烃或环状烯烃的官能团在其分子末端以外的位置上含有一个杂原子和一个或多个碳碳双键，但不氧化该官能团，从而将氧官能团键合到构成碳碳双键的至少一个碳原子上，酰胺基溶剂由下式(1)表示： 式（1）中，R1 代表具有 1 至 4 个碳原子的烷基；R2 和 R3 各自独立地代表具有 1 至 4 个碳原子的烷基或芳基；当 R1 和 R2 为烷基时，R1 和 R2 可相互键合以形成环状结构）。