isopropenyl propionate | 19089-64-6

• 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: isopropenyl propionate
• 英文别名: prop-1-en-2-yl propionate；Propionsaeure-isopropenylester；Isopropenylpropionat；propionic acid isopropenyl ester；prop-1-en-2-yl propanoate
• CAS: 19089-64-6
• 化学式: C₆H₁₀O₂
• 分子量: 114.144
• InChiKey: NLDFTWSUPLJCQD-UHFFFAOYSA-N

物化性质

• 熔点：
  95-96 °C
• 沸点：
  112-114 °C
• 密度：
  0.906±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  isopropenyl propionate 生成 α-Propionyl-β-chlor-propenylphosphonsaeure-dichlorid
  参考文献：
  名称：

  Lusenko,I.F. et al., Journal of general chemistry of the USSR, 1961, vol. 31, # 6, p. 1897 - 1901

  摘要：

  DOI：
• 作为产物：
  描述：

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

  Process for preparing isopropenyl

  摘要：

  公开号：

  US02646437A1

文献信息

• Metal‐Free, <i>N</i> ‐Iodosuccinimide‐Induced Regioselective Iodophosphoryloxylation of Alkenes with P(O)−OH Bonds
  作者：Biquan Xiong、Shipan Xu、Yu Zhu、Lei Yao、Congshan Zhou、Yu Liu、Ke‐Wen Tang、Wai‐Yeung Wong

  DOI：10.1002/chem.202000575

  日期：2020.8.3

  the iodination reagent under transition‐metal‐free conditions. The present protocol is compatible with different functional groups, and suitable for various alkenes and P(O)−OH compounds. A variety of functionalized β‐iodo‐1‐ethyl phosphinic/phosphoric acid esters are obtained in good to excellent yields, which could be further transformed to diversified building blocks for the synthesis of bioactive

  通过使用NIS（N-碘代琥珀酰亚胺）作为碘化试剂，在无过渡金属的条件下，建立了一种简单有效的方法，用于具有P（O）-OH键的烯烃的区域选择性碘代磷酰氧基化。本协议与不同的官能团兼容，并且适用于各种烯烃和P（O）-OH化合物。获得了各种功能化的β-碘-1-乙基次膦酸/磷酸酯，收率良好至极佳，可以进一步转化为用于合成生物活性化合物，药物和功能材料的多种结构单元。
• 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。
• [EN] PROCESS FOR THE PRODUCTION OF ESTETROL<br/>[FR] PROCÉDÉ DE PRODUCTION D'ESTÉTROL
  申请人：ESTETRA S A

  公开号：WO2013050553A1

  公开（公告）日：2013-04-11

  The present invention relates to a process for the preparation of a compound of formula (I), hydrates or solvates thereof; (I) said process comprising the steps of a) reacting a compound of formula (II), with an acylating or a silylating agent to produce a compound of formula (III), (II) (III) wherein P1 is a protecting group selected from R1CO-, or R2Si(R3)(R4)-, P2 is a protecting group selected from (R6R5R7)C-CO-, or (R2)Si(R3)(R4)-, wherein R1 is a group selected from C1-6alkyl or C3-6cycloalkyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C1-4alkyl; R2, R3 and R4 are each independently a group selected from C1-6alkyl or phenyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C1-4alkyl; R5 is a group selected from C1-6alkyl or phenyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C1-4alkyl; R6 and R7 are each independently hydrogen or a group selected from C1-6alkyl or phenyl, each group being optionally substituted by one or more substituents independently selected from fluoro or C1-4alkyl; b) reacting the compound of formula (III) in the presence of at least one oxidizing agent selected from permanganate salt, osmium oxide, hydrogen peroxide, or iodine and silver acetate to produce compound of formula (IV); and (IV)5 c) deprotecting the compound of formula (IV) to produce compound of formula (I).

  本发明涉及一种用于制备化合物的过程，其化学式为(I)，以及其水合物或溶剂合物；(I)所述过程包括以下步骤：a)将化合物的化学式为(II)与酰化剂或硅烷化剂反应，生成化合物的化学式为(III)，其中P1是从R1CO-或R2Si(R3)(R4)-中选择的保护基，P2是从(R6R5R7)C-CO-或(R2)Si(R3)(R4)-中选择的保护基，其中R1是从C1-6烷基或C3-6环烷基中选择的基团，每个基团可以选择一个或多个独立选择的氟或C1-4烷基取代基；R2、R3和R4分别独立选择自C1-6烷基或苯基，每个基团可以选择一个或多个独立选择的氟或C1-4烷基取代基；R5是从C1-6烷基或苯基中选择的基团，每个基团可以选择一个或多个独立选择的氟或C1-4烷基取代基；R6和R7分别独立选择氢或从C1-6烷基或苯基中选择的基团，每个基团可以选择一个或多个独立选择的氟或C1-4烷基取代基；b)在存在至少一种氧化剂的情况下，将化学式为(III)的化合物与高锰酸盐、氧化铼、过氧化氢或碘和乙酸银反应，生成化学式为(IV)的化合物；以及c)去保护化学式为(IV)的化合物，生成化学式为(I)的化合物。
• Indolobenzoquinoline derivatives, their preparation and their use as anti-arrhythmic drugs
  申请人：Sankyo Company Limited

  公开号：EP0415776A2

  公开（公告）日：1991-03-06

  Optically active compounds of formula (I): in which R1 is hydrogen or alkyl; Xb and Yb are hydrogen or hydroxy; and Z is -NRaRb in which Ra and Rb are hydrogen, alkyl or hydroxyalkyl, or a cyclic amino group; and pharmaceutically acceptable salts thereof have enhanced anti-arrhythmic activity and may be prepared by a stereospecific synthesis process.

  式(I)中的光学活性化合物：其中R1为氢或烷基；Xb和Yb为氢或羟基；Z为-NRaRb，其中Ra和Rb为氢、烷基或羟基烷基，或环状氨基；以及其药学上可接受的盐具有增强的抗心律失常活性，并可通过立体特异性合成过程制备。