5-hexenyl propanoate

• 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: 5-hexenyl propanoate
• 英文别名: 5-hexenyl propionate；Propanoic acid, 5-hexen-1-yl ester；hex-5-enyl propanoate
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: MVIPOMRUKNTWFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  4-甲氧基苯酚 、 5-hexenyl propanoate 在 十羰基二铼 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以83%的产率得到5-(2-hydroxy-5-methoxyphenyl)hexyl propionate
  参考文献：
  名称：

  Rhenium-Catalyzed Regioselective Alkylation of Phenols

  摘要：

  Treatment of phenol derivatives with terminal alkenes in the presence of a catalytic amount of a rhenium complex, Re-2(CO)(10), gave monoalkylated phenol derivatives in good to excellent yields. This reaction proceeds at the ortho- or para-position of phenols regioselectively.

  DOI：

  10.1021/ja904360k
• 作为产物：
  描述：

  5-己烯-1-醇 、 丙酸 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以71%的产率得到5-hexenyl propanoate
  参考文献：
  名称：

  Enhancement of the Efficiency of the Low Temperature Method for Kinetic Resolution of Primary Alcohols by Optimizing the Organic Bridges in Porous Ceramic-Immobilized Lipase

  摘要：

  为了提高脂肪酶催化一级醇拆解反应的立体选择性和加速反应速率，我们发现采用极低的反应温度（−30°C）和有机桥涂层多孔陶瓷载体上固载的脂肪酶非常有效。此外，有机桥的结构对ln E与1/T之间的温度效应以及反应速率有极大的影响。在研究(±)-2-羟甲基-1,4-苯并二噁烷拆解过程中，我们发现6-(2-甲基丙酰氧基)己基硅烷三氧化物桥是最适合在−30°C下同时获得高E值和高反应速率的理想选择。

  DOI：

  10.1246/bcsj.76.1441

文献信息

• GAS-BARRIER RESIN COMPOSITION AND USE THEREOF
  申请人：Showa Denko K.K.

  公开号：EP3660105A1

  公开（公告）日：2020-06-03

  The present invention relates to a gas-barrier resin composition, including: a gas-barrier resin (A) having an oxygen permeability coefficient of 1.0×10-14 (cm3·cm/cm2·s·Pa) or less; and a copolymer (B) containing monomer structural units represented by the formula (1), the formula (2), and the formula (3): where: R1 represents a hydrogen atom or a methyl group; R2 represents a hydrocarbon group having 1 to 20 carbon atoms that may be substituted with a halogen atom, a hydroxy group, an alkoxy group, or an amino group; l, m, and n represent numerical values representing molar proportions of the respective monomer structural units, and n may represent 0; and p represents an integer of from 1 to 4, wherein a ratio of a mass of the copolymer (B) to a total mass of the gas-barrier resin (A) and the copolymer (B) is from 1 mass% to 40 mass%. Preferred as the gas-barrier resin (A) are a vinyl alcohol-based resin (A1), a polyamide-based resin (A2), and a polyester-based resin (A3). The present invention can provide a resin composition ameliorated in low flexibility and low impact resistance, which are drawbacks of a gas-barrier resin, without impairing excellent gas barrier properties of the gas-barrier resin.

  本发明涉及一种气体阻隔树脂组合物，包括：氧气渗透系数为 1.0×10-14 (cm3-cm/cm2-s-Pa) 或以下的气体阻隔树脂 (A)；以及含有式 (1)、式 (2) 和式 (3) 所代表的单体结构单元的共聚物 (B)： 其中R1 代表氢原子或甲基； R2 代表具有 1 至 20 个碳原子的烃基，可被卤素原子、羟基、烷氧基或氨基取代；l、m 和 n 代表数值，代表各自单体结构单元的摩尔比例，n 可以代表 0；p 代表 1 至 4 的整数，其中共聚物（B）的质量与气体阻隔树脂（A）和共聚物（B）的总质量之比为 1 质量％至 40 质量％。作为气体屏障树脂（A），首选乙烯醇基树脂（A1）、聚酰胺基树脂（A2）和聚酯基树脂（A3）。本发明可提供一种树脂组合物，在不影响气体阻隔性树脂的优异气体阻隔性的前提下，改善气体阻隔性树脂的缺点--低柔韧性和低抗冲击性。
• Enhancement of the Efficiency of the Low Temperature Method for Kinetic Resolution of Primary Alcohols by Optimizing the Organic Bridges in Porous Ceramic-Immobilized Lipase
  作者：Takashi Sakai、Kyoko Hayashi、Fumika Yano、Mie Takami、Megumi Ino、Toshinobu Korenaga、Tadashi Ema

  DOI：10.1246/bcsj.76.1441

  日期：2003.7

  For the enhancement of enantioselectivity and acceleration of the reaction rate in the lipase-catalyzed resolution of primary alcohols, the use of a very low reaction temperature (−30 °C) and an immobilized lipase on organic bridges-coated porous ceramic support was found to be highly effective. Furthermore, the structure of the organic bridges greatly influenced the temperature effect between ln E and 1/T as well as the reaction rate. Among the organic bridges examined in the resolution of (±)-2-hydroxymethyl-1,4-benzodioxane, the 6-(2-methylpropanoyloxy)hexylsilanetrioxyl bridge was the best choice for both the E value and the reaction rate at −30 °C.

  为了提高脂肪酶催化一级醇拆解反应的立体选择性和加速反应速率，我们发现采用极低的反应温度（−30°C）和有机桥涂层多孔陶瓷载体上固载的脂肪酶非常有效。此外，有机桥的结构对ln E与1/T之间的温度效应以及反应速率有极大的影响。在研究(±)-2-羟甲基-1,4-苯并二噁烷拆解过程中，我们发现6-(2-甲基丙酰氧基)己基硅烷三氧化物桥是最适合在−30°C下同时获得高E值和高反应速率的理想选择。
• Rhenium-Catalyzed Regioselective Alkylation of Phenols
  作者：Yoichiro Kuninobu、Takashi Matsuki、Kazuhiko Takai

  DOI：10.1021/ja904360k

  日期：2009.7.29

  Treatment of phenol derivatives with terminal alkenes in the presence of a catalytic amount of a rhenium complex, Re-2(CO)(10), gave monoalkylated phenol derivatives in good to excellent yields. This reaction proceeds at the ortho- or para-position of phenols regioselectively.