(Z)-methyl 2-(trifluoromethyl)but-2-enoate | 106910-35-4

• 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: (Z)-methyl 2-(trifluoromethyl)but-2-enoate
• 英文别名: methyl (Z)-2-(trifluoromethyl)but-2-enoate
• CAS: 106910-35-4
• 化学式: C₆H₇F₃O₂
• 分子量: 168.116
• InChiKey: IPGUVLPUWOBSPI-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  2
• 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：
  5

反应信息

• 作为产物：
  描述：

  2-(三氟甲基)丙烯酸甲酯 以 甲苯 为溶剂， 反应 1.0h， 生成 (Z)-methyl 2-(trifluoromethyl)but-2-enoate
  参考文献：
  名称：

  Facile syntheses of fluorine-containing α,β-unsaturated acids and esters from 2-trifluoromethylacrylic acid

  摘要：

  DOI：

  10.1016/s0040-4039(00)84746-2

文献信息

• Fluorinated butanolides and butenolides
  作者：Jiřı́ Paleček、Jaroslav Kvı́čala、Oldřich Paleta

  DOI：10.1016/s0022-1139(01)00543-7

  日期：2002.2

  2-(Trifluoromethyl)butan-4-olides 13 and 14 were prepared by a three-step synthesis starting from a Wittig reagent and methyl 3,3,3-trifluoropyruvate (1) as a building block. The Wittig reaction of (2-oxoalkyl)triphenylphosphonium bromides with pyruvate 1 gave intermediate 4-oxobutenoates 8 and 9, which were stepwise selectively reduced with zinc borohydride firstly at the double bond and subsequently

  通过Wittig试剂和3,3,3-三氟丙酮酸甲酯（1）作为结构单元，通过三步合成制备2-（三氟甲基）丁烷-4-醇化物13和14。（2-氧代烷基）三苯基phosph溴化物与丙酮酸1的Wittig反应得到中间体4-氧代丁烯酸酯8和9，首先用硼氢化锌在双键处然后在氧代基上逐步选择性地还原它们，得到不稳定的4-羟基-2 -三氟甲基链烷酸酯11和12，自发环化到末端丁烯醇酯13和14。
• ORGANIC SEMICONDUCTING COMPOUNDS
  申请人：MERCK PATENT GMBH

  公开号：US20170084839A1

  公开（公告）日：2017-03-23

  The invention relates to novel organic semiconducting compounds, which are small molecules or conjugated polymers, containing one or more isoindigo or thienoisoindigo based polycyclic units, to methods for their preparation and educts or intermediates used therein, to compositions, polymer blends and formulations containing them, to the use of the compounds, compositions and polymer blends as organic semiconductors in, or for the preparation of, organic electronic (OE) devices, especially organic photovoltaic (OPV) devices, organic photodetectors (OPD), Perovskite based solar cells, organic field effect transistors (OFET) and organic light emitting diodes (OLED), and to OE, OPV, OPD, OFET and OLED devices comprising these compounds, compositions or polymer blends.