isopropenyl hexanoate | 25309-42-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: isopropenyl hexanoate
• 英文别名: Capronsaeure-isopropenylester；hexanoic acid isopropenyl ester；Hexansaeure-isopropenylester；Prop-1-en-2-yl hexanoate
• CAS: 25309-42-6
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: FZNRKIBWFTTZJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  6
• 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：

  isopropenyl hexanoate 、 Bicyclo<4.1.0>heptan-2-ol 在 lipase from Candida antarctica (Novozym) 作用下， 以 various solvent(s) 为溶剂， 反应 0.5h， 生成 Hexanoic acid (1S,2R,6R)-bicyclo[4.1.0]hept-2-yl ester
  参考文献：
  名称：

  Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols

  摘要：

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00099-3
• 作为产物：
  描述：

  乙酸异丙烯酯 、 己酸 在 硫酸 、 mercury(II) diacetate 作用下， 生成 isopropenyl hexanoate
  参考文献：
  名称：

  Process for preparing isopropenyl

  摘要：

  公开号：

  US02646437A1

文献信息

• METHOD OF PRODUCING BICYCLO[3.1.0] HEXANE DERIVATIVE USING ENZYME
  申请人：HIROTSUKA Mitsuaki

  公开号：US20110065934A1

  公开（公告）日：2011-03-17

  Production of a bicyclo[3.1.0]hexane derivative, useful as a metabotropic glutamate receptor modulator, becomes possible by a production method that includes converting a compound represented by Formula (II) into a compound represented by Formula (III) by reaction with an acyl group donor in the presence of a microorganism-derived enzyme, without using an expensive optically active trans hydroxy ester as a starting material and without employing a fluorination reaction requiring an ultralow temperature reaction. Furthermore, since asymmetric synthesis can be carried out in a stage closer to the final product, the production method is useful as a production method that can mass produce a bicyclo[3.1.0]hexane derivative.

  通过在微生物来源的酶存在下，通过将由式（II）表示的化合物与酰基供体反应转化为由式（III）表示的化合物的生产方法，可以生产出一种作为代谢型谷氨酸受体调节剂有用的脱氢脂肪酸衍生物，而无需使用昂贵的光学活性反式羟基酯作为起始物质，也无需进行需要超低温反应的氟化反应。此外，由于不对称合成可以在接近最终产品的阶段进行，因此该生产方法可作为一种可以大规模生产脱氢脂肪酸衍生物的生产方法。
• PROCESS FOR PRODUCING OPTICALLY ACTIVE BICYCLO [3.1.0] HEXANE DERIVATIVE USING ENZYME
  申请人：Sasaki Joji

  公开号：US20120232304A1

  公开（公告）日：2012-09-13

  There is provided a process for producing a bicyclo [3.1.0] hexane derivative represented by the formula (I) and a salt thereof including; causing an enzyme to act on an optically inactive compound represented by the formula (II) causing an asymmetric acylation reaction and a highly-stereoselective conversion to an optically active compound represented by the formula (III); and converting the compound represented by the formula (III) to the compound represented by the formula (I) or a salt thereof.

  提供了一种制备式(I)表示的双环[3.1.0]己烷衍生物及其盐的方法，包括：使酶作用于式(II)表示的光学非活性化合物，引发不对称酰化反应和高度立体选择性转化，得到式(III)表示的光学活性化合物；并将式(III)表示的化合物转化为式(I)表示的化合物或其盐。
• Bleaching compositions, detergent products containing same and process for their use
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0043173A1

  公开（公告）日：1982-01-06

  Peroxygen fabric bleaching compounds capable of yielding hydrogen peroxide in an aqueous solution are activated by long chain acyl compounds of the formula wherein Z is a leaving group which can be certain enols, carbon acids or N-alkyl quaternary imidazoles. The activated bleaching compositions herein are stable and especially suitable for use at relatively low temperatures. Bleaching processes and detergent compositions containing the ; bleaching compositions are also described.

  能在水溶液中产生过氧化氢的过氧织物漂白化合物是由式如下的长链酰基化合物活化的 其中 Z 为离去基团，可以是某些烯醇、碳酸或 N-烷基季咪唑。此处的活化漂白组合物非常稳定，尤其适合在相对较低的温度下使用。此外，还介绍了漂白工艺和含有这些漂白组合物的洗涤剂组合物。
• Instantaneously curable composition
  申请人：Nippon Paint Co., Ltd.

  公开号：EP0206544A2

  公开（公告）日：1986-12-30

  A curable composition comprises (A) a polymer whose molecules have a main chain comprising carbon-carbon bonds and one or more isocyanatocarbonyl groups pendant to the main chain, the content of the isocyanatocarbonyl groups per polymer molecule being from 0.1 to 72.2% by weight, and (B) an active hydrogen atom-containing compound. Various polymers of the given type, including polymers having pendant isocyanatocarbonyl and/or isocyanato groups, are novel.

  一种可固化组合物包括：(A) 聚合物，其分子主链由碳-碳键组成，主链上有一个或多个 异氰酸羰基，每个聚合物分子中异氰酸羰基的含量为 0.1%至 72.2%（按重量计）；(B) 含 有活性氢原子的化合物。上述类型的各种聚合物，包括具有悬垂异氰酸羰基和/或异氰酸基的聚合物，都是新颖的。
• Functional polymers and their production
  申请人：Nippon Paint Co., Ltd.

  公开号：EP0207621A2

  公开（公告）日：1987-01-07

  A functional polymer whose molecules have a main chain of carbon-carbon bonds and one or more pendant functional groups each appended to the main chain via a carbonyliminocarbonyl linkage, in which the or each functional group is chosen from fluorinated, aminotriazine, photosensitive, bicyclic and spiro structure-containing groups, and in which the content of the functional groups plus the carbonyliminocarbonyl linkages per molecule is from 0.1 to 99.9% by weight.

  一种功能性聚合物，其分子具有由碳-碳键组成的主链和一个或多个通过羰基亚氨基羰基连接附着在主链上的悬挂官能团，其中的官能团或每个官能团选自氟化、氨基三嗪、光敏、双环和含螺结构的基团，每个分子的官能团和羰基亚氨基羰基连接的含量按重量计为 0.1 至 99.9%。