ethyl trifluoroaceto acetate | 68267-66-3

• 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: ethyl trifluoroaceto acetate
• 英文别名: (2,2,2-Trifluoroacetyl) butanoate
• CAS: 68267-66-3
• 化学式: C₆H₇F₃O₃
• 分子量: 184.115
• InChiKey: NYTAYTQVZAVDAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl trifluoroaceto acetate 、 间苯二酚 在 硫酸 作用下， 反应 1.0h， 生成 7-羟基-4-三氟甲基香豆素
  参考文献：
  名称：

  Coumarin-dithiocarbamate hybrids as novel multitarget AChE and MAO-B inhibitors against Alzheimer’s disease: Design, synthesis and biological evaluation

  摘要：

  A series of new coumarin-dithiocarbamate hybrids were designed and synthesized as multitarget agents for the treatment of Alzheimer's disease. Most of them showed potent and clearly selective inhibition towards AChE and MAO-B. Among these compounds, compound 8f demonstrated the most potent inhibition to AChE with IC50 values of 0.0068 mu M and 0.0089 mu M for eeAChE and hAChE, respectively. Compound 8g was identified as the most potent inhibitor to hMAO-B, and it is also a good and balanced inhibitor to both hAChE and hMAO-B (0.114 mu M for hAChE; 0.101 mu M for hMAO-B). Kinetic and molecular modeling studies revealed that 8g was a dual binding site inhibitor for AChE and a competitive inhibitor for MAO-B. Further studies indicated that 8g could penetrate the BBB and exhibit no toxicity on SH-SY5Y neuroblastoma cells. More importantly, 8g did not display any acute toxicity in mice at doses up to 2500 mg/kg and could reverse the cognitive dysfunction of scopolamine-induced AD mice. Overall, these results highlighted 8g as a potential multitarget agent for AD treatment and offered a starting point for design of new multitarget AChE/MAO-B inhibitors based on dithiocarbamate scaffold.

  DOI：

  10.1016/j.bioorg.2018.09.010
• 作为产物：
  描述：

  三氟乙酸酐 、 丁酸 在 吡啶 作用下， 以 氯仿 为溶剂， 反应 0.25h， 生成 ethyl trifluoroaceto acetate
  参考文献：
  名称：

  New synthesis of tert-butyl peroxycarboxylates

  摘要：

  tert-Butyl peroxyacetate, tert-butyl peroxybutyrate, tert-butyl phenylperoxyacetate, and tert-butyl peroxyundecanoate were obtained in nearly quantitative yields by the esterification of the corresponding carboxylic acids with tert-butyl hydroperoxide in the presence of trifluoroacetic anhydride and pyridine in nonaqueous medium at 0-5 degrees C. No terl-butyl peroxytrifluoroacetate was formed as a by-product during the process. A possible reaction mechanism is discussed.

  DOI：

  10.1134/s1070428006040026

文献信息

• METHOD FOR PRODUCING 2-ISOPROPYLIDENE-5-METHYL-4-HEXENYL BUTYRATE
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20150119597A1

  公开（公告）日：2015-04-30

  Provided is a simple and efficient method for producing 2-isopropylidene-5-methyl-4-hexenyl butyrate. More specifically, provided is a method for producing 2-isopropylidene-5-methyl-4-hexenyl butyrate, the method including the steps of: isomerizing 2-isopropenyl-5-methyl-4-hexenoic acid ester (1) into 2-isopropylidene-5-methyl-4-hexenoic acid ester (2), reducing thus formed 2-isopropylidene-5-methyl-4-hexenoic acid ester (2) into 2-isopropylidene-5-methyl-4-hexenol (3), and butyrylating thus formed 2-isopropylidene-5-methyl-4-hexenol (3) into 2-isopropylidene-5-methyl-4-hexenyl butyrate (4), wherein R represents a C 1-10 hydrocarbon group.

  提供了一种简单高效的生产2-异丙基亚甲基-5-甲基-4-己烯基丁酸丁酯的方法。具体来说，提供了一种生产2-异丙基亚甲基-5-甲基-4-己烯基丁酸丁酯的方法，包括以下步骤：将2-异丙烯基-5-甲基-4-己烯酸酯（1）异构化为2-异丙基亚甲基-5-甲基-4-己烯酸酯（2），将形成的2-异丙基亚甲基-5-甲基-4-己烯酸酯（2）还原为2-异丙基亚甲基-5-甲基-4-己烯醇（3），并将形成的2-异丙基亚甲基-5-甲基-4-己烯醇（3）丁酰化为2-异丙基亚甲基-5-甲基-4-己烯基丁酸丁酯（4），其中R代表一个碳链为C1-10的烃基。
• Preparation of 3,5-dicarboxylic esters of 2,6-bis (Fluoroalkyl) piperidines
  申请人：Monsanto Company

  公开号：EP0291565A1

  公开（公告）日：1988-11-23

  An improved process for the preparation of a compound of the formula wherein X is NH; R₁ is selected from lower alkyl, phenyl, heterocyclic radicals having 3-6 atoms in the ring with 1-3 atoms selected from O, S, and N; R₂ is a C1-4 alkyl radical and R₃ represents a C1-4 fluoroalkyl radical, comprises reacting a 3-ketoester with an aldehyde in the presence of piperidine as a catalyst to form a corresponding pyran, i.e. a compound of the above formula in which X is oxygen, and then passing gaseous ammonia through the reaction mixture to react therewith to produce the desired compound.

  一种制备式化合物的改进工艺 其中 X 为 NH；R₁ 选自低级烷基、苯基、环上有 3-6 个原子的杂环基，其中 1-3 个原子选自 O、S 和 N；R₂ 为 C1-4 烷基，R₃ 代表 C1-4 氟烷基，包括在哌啶作为催化剂存在下，使 3-酮酯与醛反应生成相应的吡喃，即上式中 X 为氧的化合物，然后使气态氨通过反应混合物与之反应生成所需的化合物。即上式中 X 为氧的化合物，然后使气态氨通过反应混合物，与之反应生成所需的化合物。
• Pigment compositions with modified block copolymer dispersants
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1275689A1

  公开（公告）日：2003-01-15

  The present invention relates to a composition containing modified block copolymer dispersants and dispersible inorganic or organic pigments. The block copolymers are modified with a salt forming group. The pigment composition is useful for preparing coating compositions, prints, images, inks or lacquers and other disperse systems.

  本发明涉及一种含有改性嵌段共聚物分散剂和可分散无机或有机颜料的组合物。嵌段共聚物由成盐基团改性。该颜料组合物可用于制备涂料组合物、印刷品、图像、油墨或油漆以及其他分散体系。
• Method for producing 2-isopropylidene-5-methyl-4-hexenyl butyrate
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP2868651A1

  公开（公告）日：2015-05-06

  Provided is a simple and efficient method for producing 2-isopropylidene-5-methyl-4-hexenyl butyrate. More specifically, provided is a method for producing 2-isopropylidene-5-methyl-4-hexenyl butyrate, the method comprising the steps of: isomerizing 2-isopropenyl-5-methyl-4-hexenoic acid ester (1) into 2-isopropylidene-5-methyl-4-hexenoic acid ester (2), reducing thus formed 2-isopropylidene-5-methyl-4-hexenoic acid ester (2) into 2-isopropylidene-5-methyl-4-hexenol (3), and butyrylating thus formed 2-isopropylidene-5-methyl-4-hexenol (3) into 2-isopropylidene-5-methyl-4-hexenyl butyrate (4), wherein R represents a C1-10 hydrocarbon group.

  本发明提供了一种生产 2-异亚丙基-5-甲基-4-己烯丁酸酯的简单而有效的方法。更具体地说，提供了一种生产 2-异亚丙基-5-甲基-4-己烯丁酸酯的方法，该方法包括以下步骤：将 2-异亚丙烯基-5-甲基-4-己烯酸酯（1）异构化成 2-异亚丙烯基-5-甲基-4-己烯酸酯（2），将由此形成的 2-异亚丙烯基-5-甲基-4-己烯酸酯（2）还原成 2-异亚丙烯基-5-甲基-4-己烯醇（3）、并将由此形成的 2-异亚丙基-5-甲基-4-己烯醇（3）丁酰化为 2-异亚丙基-5-甲基-4-己烯丁酸酯（4）、 其中 R 代表 C1-10 烃基。
• Dmitrevskaya, L. I.; Kurkovskaya, L. N.; Ponomarenko, N. K., Journal of Organic Chemistry USSR (English Translation), 1983, p. 1987 - 1989
  作者：Dmitrevskaya, L. I.、Kurkovskaya, L. N.、Ponomarenko, N. K.、Usorov, M. I.、Smushkevich, Yu. I.、Suvorov, N. M.

  DOI：——

  日期：——