2-(三氟甲基)-苯乙酸甲酯 | 181039-97-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(三氟甲基)-苯乙酸甲酯
• 英文名称: methyl 2-(2-(trifluoromethyl)phenyl)acetate
• 英文别名: methyl 2-[2-(trifluoromethyl)phenyl]acetate
• CAS: 181039-97-4
• 化学式: C₁₀H₉F₃O₂
• 分子量: 218.175
• InChiKey: YWVRILIISWHRDP-UHFFFAOYSA-N

物化性质

• 沸点：
  209.4±35.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  2-(三氟甲基)-苯乙酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 14.0h， 以89%的产率得到methyl 2-bromo-2-(2-(trifluoromethyl)phenyl)acetate
  参考文献：
  名称：

  一种吡咯烷类整合素调节剂及其用途

  摘要：

  本发明涉及一种式I所示的化合物及其消旋体、立体异构体、互变异构体、同位素标记物、氮氧化物、溶剂化物、多晶型物、代谢产物、酯、前药或其药学上可接受的盐，以及包含其的药物组合物，其制备方法，及其医药用途，所述式I结构如下：

  公开号：

  CN113354635B
• 作为产物：
  描述：

  2-(三氟甲基)苯乙酸 在 2-氯-1-甲基吡啶碘化物 作用下， 以 二氯甲烷 为溶剂， 反应 48.25h， 生成 2-(三氟甲基)-苯乙酸甲酯
  参考文献：
  名称：

  转换途径：室温中性溶剂分解和酰胺取代

  摘要：

  粘连或扭曲：通过在氮原子上引入位阻，可以形成带有吸电子α取代基（Z = Ar，PhSO 2，P（O）（OR）2，CN或CO 2 R）的稳定的线性酰胺。通过消除-加成机理诱导其经历溶剂分解和取代反应（见图）。该过程的关键是绕酰胺键和α取代基Z旋转的低障碍。

  DOI：

  10.1002/anie.201107117

文献信息

• [EN] INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS<br/>[FR] PROCÉDÉS INSECTICIDES UTILISANT DES COMPOSÉS HÉTÉROAROMATIQUES CONTENANT DE L'AZOTE
  申请人：BASF SE

  公开号：WO2011064188A1

  公开（公告）日：2011-06-03

  Insectical methods using nitrogen containing heteroaromatic compounds The present invention relates to new insecticidal methods of using nitrogen-containing heteroaromatic compounds of the formula (I), wherein A, E, G, M, W, Y, X, R1 and R2 are defined as in the description, and to their enantiomers, diastereomers and agriculturally and veterinary acceptable salts. The present invention relates to methods of administering and applying such Pyridine compounds of formula I for insecticidal use and purposes in agriculture and in the veterinary field. The invention relates also to new derivatives of Pyridine compounds of formula I.

  使用含氮杂芳化合物的杀虫方法。本发明涉及使用式(I)的含氮杂芳化合物的新杀虫方法，其中A、E、G、M、W、Y、X、R1和R2如描述中所定义，并且其对映异构体、顺反异构体和农业和兽医可接受的盐。本发明涉及用于农业和兽医领域的杀虫用途和目的的给药和应用式I的吡啶化合物的方法。该发明还涉及式I的吡啶化合物的新衍生物。
• HETEROCYCLIC DIKETONE DERIVATIVES WITH HERBICIDAL ACTION
  申请人：Song Dschun

  公开号：US20110251063A1

  公开（公告）日：2011-10-13

  Heterocyclic compounds of the formula I in which the variables are defined according to the description, their agriculturally suitable salts, processes and intermediates for preparing the compounds of the formula I, compositions comprising them and their use as herbicides, i.e. for controlling harmful plants, and also a method for controlling unwanted vegetation which comprises allowing a herbicidally effective amount of at least one compound of the formula I to act on plants, their seed and/or their habitat.

  式I的杂环化合物，其中变量根据描述定义，它们的农业适用盐，用于制备式I化合物的过程和中间体，包含它们的组合物以及它们作为除草剂的用途，即用于控制有害植物，以及一种控制不受欢迎植被的方法，包括让式I的至少一种化合物的除草有效量作用于植物、它们的种子和/或它们的栖息地。
• Substituted Pyridopyrazines with a Herbicidal Action
  申请人：Song Dschun

  公开号：US20120071322A1

  公开（公告）日：2012-03-22

  Substituted pyrazines of the formula I in which the variables are defined according to the description, their agriculturally suitable salts, processes and intermediates for preparing the pyrazines of the formula I, compositions comprising them and their use as herbicides, i.e. for controlling harmful plants, and also a method for controlling unwanted vegetation which comprises allowing a herbicidally effective amount of at least one pyrazine compound of the formula I to act on plants, their seed and/or their habitat.

  根据描述定义的变量，其农业适用盐，用于制备公式I的吡嗪的过程和中间体，包含它们的组合物以及它们作为除草剂的用途，即用于控制有害植物，以及一种控制不受欢迎植被的方法，包括允许至少一种公式I的吡嗪化合物的除草有效量作用于植物、它们的种子和/或它们的栖息地。
• Substituted phenyl compounds with a substituent having a thienyl ring
  申请人：Rhone-Poulenc Rorer Limited

  公开号：US06124343A1

  公开（公告）日：2000-09-26

  This invention is directed to compounds of formula I ##STR1## wherein R.sup.1 is CN, CH.sub.2 CN, CH.dbd.CHCN, CHO, or CH.dbd.CHCO.sub.2 H; R.sup.2 is aryl lower alkoxy, heteroaryl lower alkoxy, aryl lower alkylthio or heteroaryl lower alkylthio wherein each of the aryl and heteroaryl moieties is optionally substituted; R.sup.3 is halogen; R.sup.4 is optionally substituted aryl or optionally substituted heteroaryl; R.sup.5 is carboxy or an acid isostere; X is oxygen or sulphur; and n is zero or 1; or an N-oxide thereof, prodrug thereof solvate thereof, or pharmaceutically acceptable salt thereof, which compounds have endothelin antagonist activity. The invention is also directed to methods for preparing the compounds of formula I and their pharmaceutical use.

  这项发明涉及式I的化合物##STR1##其中R.sup.1为CN、CH.sub.2CN、CH.dbd.CHCN、CHO或CH.dbd.CHCO.sub.2H；R.sup.2为芳基低烷氧基、杂芳基低烷氧基、芳基低烷硫基或杂芳基低烷硫基，其中芳基和杂芳基中的每一个可选择地被取代；R.sup.3为卤素；R.sup.4为可选择地被取代的芳基或可选择地被取代的杂芳基；R.sup.5为羧基或酸异构体；X为氧或硫；n为零或1；或其N-氧化物、前药、溶剂化合物或药学上可接受的盐，这些化合物具有内皮素拮抗活性。该发明还涉及制备式I化合物及其药用的方法。
• [EN] 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS<br/>[FR] DÉRIVÉS DE 1-HÉTÉROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE ET LEURS UTILISATIONS À TITRE DE MODULATEURS DE PDE9A
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009121919A1

  公开（公告）日：2009-10-08

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones, Formula (I) with Hc is a mono-, bi- or tricyclic heterocyclyl group, the ring members of which are carbon atoms and at least 1, preferably 1, 2 or 3, heteroatom(s), which are selected from the group of nitrogen, oxygen and sulphur, which is in the form of -S(O)r - with r being 0, 1 or 2, and - said heterocyclyl group is or comprises 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member and - said heterocyclyl group is bound to the scaffold by said 1 non- aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member. According to one aspect of the invention the new compounds are for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease.

  该发明涉及新型1,6-二取代吡唑吡嘧啶酮，化学式（I），其中Hc是一个单环、双环或三环杂环基团，其环成员为碳原子和至少1个，优选1个、2个或3个来自氮、氧和硫的杂原子，其以-S(O)r-的形式存在，其中r为0、1或2，所述杂环基团是或包括1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，所述杂环基团通过所述至少包含1个杂原子作为环成员的非芳香、饱和或部分不饱和的单环环与支架相结合。根据该发明的一个方面，新化合物用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷相关疾病的药物。新化合物还用于制造治疗阿尔茨海默病的药物。