ethyl 3-(trifluoromethyl)-4-methylpentanoate | 453-24-7

• 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: ethyl 3-(trifluoromethyl)-4-methylpentanoate
• 英文别名: 4-methyl-3-trifluoromethyl-valeric acid ethyl ester；4-Methyl-3-trifluormethyl-valeriansaeure-aethylester；3-(Trifluoromethyl)-4-methylvaleric acid ethyl ester；ethyl 4-methyl-3-(trifluoromethyl)pentanoate
• CAS: 453-24-7
• 化学式: C₉H₁₅F₃O₂
• 分子量: 212.212
• InChiKey: BHVYGTDOXYGWES-UHFFFAOYSA-N

物化性质

• 沸点：
  98.0-99.0 °C(Press: 65 Torr)
• 密度：
  1.113 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-(trifluoromethyl)-4-methylpentanoate 在 sodium hydroxide 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 10.0h， 生成 2-(2-Methyl-1-trifluoromethyl-propyl)-pent-4-enoic acid
  参考文献：
  名称：

  氟甲基对亲电烷基化中非对映选择性的影响

  摘要：

  描述了氟甲基对亲电烷基化中非对映选择性的影响。特别地，基于具有强吸电子的取代基的空间和/或静电效应，具有高三非对映选择性地进行具有三氟甲基的烯醇盐的亲电子烷基化。

  DOI：

  10.1016/j.jfluchem.2005.04.001
• 作为产物：
  描述：

  ethyl 3-(trifluoromethyl)-4-methyl-4-nitropentanoate 在 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 反应 6.0h， 以65%的产率得到ethyl 3-(trifluoromethyl)-4-methylpentanoate
  参考文献：
  名称：

  氟甲基对亲电烷基化中非对映选择性的影响

  摘要：

  描述了氟甲基对亲电烷基化中非对映选择性的影响。特别地，基于具有强吸电子的取代基的空间和/或静电效应，具有高三非对映选择性地进行具有三氟甲基的烯醇盐的亲电子烷基化。

  DOI：

  10.1016/j.jfluchem.2005.04.001

文献信息

• HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150245616A1

  公开（公告）日：2015-09-03

  Herbicidally and fungicidally active 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), X, X 2 to X 6 , R 1 to R 4 are radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的5-氧代取代的3-苯基异噁唑啉-5-羧酰胺和5-氧代取代的3-苯基异噁唑啉-5-硫酰胺的化合物如下式（I）所述。 在这个式子（I）中，X，X2至X6，R1至R4是氢、卤素和有机基团，如取代烷基等。A是一个键或二价基团。Y是硫族元素。
• HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150223461A1

  公开（公告）日：2015-08-13

  Herbicidally and fungicidally active 3-heteroaryl-isoxazoline-5-carboxamides and 3-heteroaryl-isoxazoline-5-thioamides Herbicidally and fungicidally active 3-heteroarylisoxazoline-5-carboxamides and 3-heteroarylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), R represents radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的3-杂环芳基异噁唑啉-5-羧酰胺和3-杂环芳基异噁唑啉-5-硫酰胺被描述为具有除草和杀菌活性的化合物。在公式（I）中，R代表氢，卤素和有机基团，例如取代的烷基。 A是一个键或二价基团。 Y是硫族元素。
• One haemodialysis unit's experience of hepatitis B
  作者：A Balshaw、J Casey

  DOI：10.1111/j.1755-6686.2000.tb00071.x

  日期：2000.1.3

  SummaryHaemodialysis patients are at high risk of contracting Hepatitis B Virus (HBV). This blood borne virus has been responsible for many critical incidents within haemodialysis units around the world. This paper seeks to explore one such outbreak and at the same time look more closely at HBV and connected issues. The incident discussed occurred within a haemodialysis unit situated in the Northwest of England. This paper is presented as a case study. When HBV was detected in a previously HBV negative patient a crisis management team moved quickly to contain any possible outbreak and sought to discover the origin of the infection. An outline of the personal and financial cost to the organisation, what lessons have been learnt and why recommendations have been made to immunise the local dialysis population again HBV will be presented.
• US9516880B2
  申请人：——

  公开号：US9516880B2

  公开（公告）日：2016-12-13
• The effect of fluoromethyl groups on the diastereoselectivity in the electrophilic alkylation
  作者：Kenji Tamura、Takashi Yamazaki、Tomoya Kitazume、Toshio Kubota

  DOI：10.1016/j.jfluchem.2005.04.001

  日期：2005.6

  The effect of fluoromethyl groups on the diastereoselectivity in the electrophilic alkylation is described. In particular, the electrophilic alkylation of enolates with a trifluoromethyl group was proceeded with highly diastereofacial selectivity based on the steric and/or electrostatic effect of substituent with strong electron withdrawing.

  描述了氟甲基对亲电烷基化中非对映选择性的影响。特别地，基于具有强吸电子的取代基的空间和/或静电效应，具有高三非对映选择性地进行具有三氟甲基的烯醇盐的亲电子烷基化。