hexanoic acid 1-ethylpentyl ester | 5421-13-6

• 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: hexanoic acid 1-ethylpentyl ester
• 英文别名: caproic acid 1-ethylpentyl ester；1-ethylpentyl caproate；Heptan-3-yl hexanoate
• CAS: 5421-13-6
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: KDHWURFMXQEFPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-庚醇 、 己酸 在 rapeseed lipase acetone powder 作用下， 以 正己烷 为溶剂， 反应 48.0h， 以29%的产率得到hexanoic acid 1-ethylpentyl ester
  参考文献：
  名称：

  Optimized synthesis of (Z)-3-hexen-1-yl caproate using germinated rapeseed lipase in organic solvent

  摘要：

  (Z)-3-hexen-1-y1 esters are important green top-note components of food flavors and fragrances Effects of various process conditions on (2)-3-hexen-1-y1 caproate synthesis employing germinated rapeseed lipase acetone powder in organic solvent were investigated Rapeseed lipase catalyzed ester formation more efficiently with non-polar compared to polar solvents despite high enzyme stability in both types of solvents Maximum ester yield (90%) was obtained when 0 125 M (Z)-3-hexen-1-ol and caproic acid were reacted at 25 degrees C for 48 h in the presence of 50 g/L enzyme in heptane Enzyme showed little sensitivity towards a(w), with optimum yield at 045, while added water did not affect esteryield Esterification reduced by increasing molecular sieves (>0 0125% w/v) The highest yields of caproic acid were obtained with isoamyl alcohol (93%) followed by butanol and (Z)-3-hexen-1-01 (88%) respectively reflecting the enzyme specificity for straight and branched chain alcohols Secondary alcohols showed low reactivity while tertiary alcohol had either very low reactivity or not esterified at all A good relationship has been found between ester synthesis and the solvent polarity (log P value) while no correlation for the effect of solvents on residual enzyme activity was observed It may be concluded that germinated rapeseed lipase is a promising biocatalyst for the synthesis of valuable green flavor note compound The enzyme also showed a wide range of temperature stability (5-50 degrees C) (c) 2010 Elsevier B V All rights reserved

  DOI：

  10.1016/j.molcatb.2010.09.011

文献信息

• [EN] SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP)<br/>[FR] PYRIDONES SUBSTITUES INHIBITEURS DE LA POLY(ADP-RIBOSE) POLYMERASE (PARP)
  申请人：AVENTIS PHARMA INC

  公开号：WO2005097750A1

  公开（公告）日：2005-10-20

  The present invention discloses and claims a series of 2,3,5-substituted pyridone derivatives as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are inhibitors of poly(adenosine 5'-diphosphate ribose) polymerase (PARP) and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases, including diseases associated with the central nervous system and cardiovascular disorders.

  本发明公开并声明了一系列如下定义的2,3,5-取代吡啶酮衍生物。本发明还涉及制备这些化合物的方法。本发明的化合物是多聚腺苷酸二磷酸核糖酶（PARP）的抑制剂，因此在制药剂中特别用于治疗和/或预防各种疾病，包括与中枢神经系统和心血管疾病相关的疾病。
• Thermochromic microencapsulated pigments
  申请人：THE PILOT INK CO., LTD.

  公开号：EP1084860A2

  公开（公告）日：2001-03-21

  Disclosed is a thermochromic microencapsulated pigment which comprises as four essential components (a) an electron-donating chromatic organic compound, (b) an electron-accepting compound, (c) a reaction medium determining the temperatures at which the color reactions of component (a) with component (b) take place, and (d) a color change temperature regulator, the color change temperature regulator (d) comprising one or more compounds selected from the group consisting of esters, alcohols, ketones, acid amides, hydrocarbons, and fatty acids and having a melting point Y (°C) satisfying the relationship (X+30)°C≤Y≤200°C, wherein X (°C) is the melting point of component (c), and the four essential components being microencapsulated.

  本发明公开了一种热致变色微胶囊颜料，它由四种基本成分组成：(a) 一种电子供色有机化合物；(b) 一种电子受色化合物；(c) 一种决定成分(a)与成分(b)发生颜色反应的温度的反应介质；(d) 一种变色温度调节剂、变色温度调节剂(d)包括一种或多种从酯、醇、酮、酸酰胺、烃和脂肪酸组成的组中选出的化合物，其熔点 Y(℃)满足(X+30)℃≤Y≤200℃的关系，其中 X(℃)是组分(c)的熔点，四种基本组分被微胶囊化。
• Thermally color-developing reversibly thermochromic pigment
  申请人：THE PILOT INK CO., LTD.

  公开号：EP1323540A2

  公开（公告）日：2003-07-02

  A thermally color-developing reversibly thermochromic pigment which shows a uniform color density in the coloring temperature range and also shows an optional ΔH value within a range of from 3 to 40°C of the ΔH value (hysteresis temperature range) in a temperature-color density curve. Thermally color-developing reversibly thermochromic pigments of a three component system having a ΔH value of within a range of from 7 to 40°C in which at least essential three components including (a) an electron-donating chromic organic compound, (b) a specified compound selected from gallic acid esters and (c) a reaction medium selected from alcohols, esters, ketones and hydrocarbons, which reversibly generates color reactions of both of the compounds within a specified temperature range and has a melting point of less than 50°C, are microencapsulated, and of a four component system having a ΔH value of within a range of from 3 to 25°C in which a compound (d) selected from monomer compounds having a melting point of 50°C or more or polymer compounds having a softening point of 70°C or more is added to the three component system.

  一种热显色可逆热致变色颜料，在着色温度范围内显示出均匀的色密度，同时在温度-色密度曲线上显示出ΔH 值在ΔH 值的 3 至 40°C 范围内（滞后温度范围）的可选ΔH 值。热显色可逆热致变色颜料的三组分体系，其 ΔH 值在 7 至 40°C 范围内，其中至少必不可少的三组分包括：(a) 电子负载铬有机化合物；(b) 选自没食子酸酯的特定化合物；(c) 选自醇、酯、酮和烃的反应介质、(c)选自醇、酯、酮和碳氢化合物的反应介质；(d)选自熔点为 50℃或以上的单体化合物或软化点为 70℃或以上的聚合物化合物的化合物；(e)选自熔点为 50℃或以上的单体化合物或软化点为 70℃或以上的聚合物化合物的反应介质。
• REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN
  申请人：The Pilot Ink Co., Ltd

  公开号：EP3608386A1

  公开（公告）日：2020-02-12

  [Problems] The present invention provides a highly marketable reversibly color changeable composition which provides a vivid yellow to orange color during color development, turns colorless during decoloration, and improves light resistance and a reversibly thermochromic microcapsule pigment encapsulating the same. [Solution] Disclosed are a reversibly thermochromic composition including: (a) a specific pyridine derivative as an electron-donating color-developing organic compound; (b) an electron-accepting compound; and (c) a reaction medium which reversibly induces an electron transfer reaction between the component (a) and the component (b) in a specific temperature range, and a reversibly thermochromic microcapsule pigment encapsulating the same.

  问题 本发明提供了一种高度市场化的可逆变色组合物，该组合物在显色过程中提供鲜艳的黄色至橙色，在脱色过程中变成无色，并提高了耐光性，还提供了封装该组合物的可逆热变色微胶囊颜料。 [解决方案］ 本发明公开了一种可逆热致变色组合物，包括：（a）作为电子捐赠显色有机化合物的特定吡啶衍生物；（b）电子接受化合物；和（c）在特定温度范围内可逆地诱导组分（a）和组分（b）之间发生电子转移反应的反应介质，以及封装该组合物的可逆热致变色微胶囊颜料。
• REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME
  申请人：THE PILOT INK CO., LTD.

  公开号：EP3950068A1

  公开（公告）日：2022-02-09

  [Problems] Provided are a highly marketable reversibly thermochromic composition that provides a black color during color development by using a fluoran derivative having a specific structure as an electron-donating color-developing organic compound, turns colorless during decoloration, and is excellent in contrast between a colored state and a decolored state and a microcapsule pigment encapsulating the same. [Solution] Disclosed are a reversibly thermochromic composition including: (a) a fluoran derivative having a specific structure as an electron-donating color-developing organic compound; (b) an electron-accepting compound; and (c) a reaction medium which reversibly induces an electron transfer reaction between the component (a) and the component (b) in a specific temperature range, and a reversibly thermochromic microcapsule pigment encapsulating the same.

  [问题]提供了一种极具市场前景的可逆热致变色组合物，该组合物通过使用具有特定结构的芴衍生物作为电子捐赠显色有机化合物，在显色过程中提供黑色，在脱色过程中变成无色，并且在有色状态和脱色状态之间具有极佳的对比度，同时还提供了封装该组合物的微胶囊颜料。 [解决方案]本发明公开了一种可逆热变色组合物，包括：（a）具有特定结构的氟烷衍生物，作为电子捐赠显色有机化合物；（b）电子接受化合物；以及（c）反应介质，该介质可在特定温度范围内可逆地诱导组分（a）和组分（b）之间的电子转移反应，以及封装该组合物的可逆热变色微胶囊颜料。