4,4-dimethyl-2-(4-(trifluoromethyl)phenyl)-2-oxazoline | 86727-72-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4-dimethyl-2-(4-(trifluoromethyl)phenyl)-2-oxazoline
• 英文别名: 4,4-dimethyl-2-(4-(trifluoromethyl)phenyl)oxazoline；4,4-dimethyl-2-(4-(trifluoromethyl)phenyl)-4,5-dihydrooxazole；2-(4-trifluoromethylphenyl)-4,4-dimethyl-4,5-dihydro-oxazole；4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-5H-1,3-oxazole
• CAS: 86727-72-2
• 化学式: C₁₂H₁₂F₃NO
• 分子量: 243.229
• InChiKey: YNXLTKJYQKNSKX-UHFFFAOYSA-N

物化性质

• 熔点：
  36-37 °C
• 沸点：
  269.0±40.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,4-dimethyl-2-(4-(trifluoromethyl)phenyl)-2-oxazoline 在 盐酸 、 正丁基锂 、 氯化亚砜 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 氯仿 、 甲苯 为溶剂， 生成 2-methyl-N-[2-methyl-6-[[(1-methylethyl)amino]-carbonyl]phenyl]-4-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034
• 作为产物：
  描述：

  N-(1-chloro-2-methylpropan-2-yl)-4-(trifluoromethyl)benzamide 在 sodium hydroxide 作用下， 以 乙醚 为溶剂， 生成 4,4-dimethyl-2-(4-(trifluoromethyl)phenyl)-2-oxazoline
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034

文献信息

• Zincation of 4,4-dimethyloxazoline using TMPZnCl·LiCl. A new preparation of 2-aryloxazolines
  作者：Diana Haas、Maximilian S. Hofmayer、Tomke Bresser、Paul Knochel

  DOI：10.1039/c5cc01144b

  日期：——

  4,4-Dimethyloxazoline is directly zincated using TMPZnCl·LiCl and further functionalized by Pd-catalyzed cross-couplings, as well as Cu-mediated acylation and allylation reactions.

  4,4-二甲基恶唑啉直接使用TMPZnCl·LiCl进行锌化，并通过钯催化的交叉偶联反应以及铜介导的酰化和烯丙基化反应进一步官能化。
• Substitution Effect on 2-(Oxazolinyl)-phenols and 1,2,5-Chalcogenadiazole<i>-</i>Annulated Derivatives: Emission-Color-Tunable, Minimalistic Excited-State Intramolecular Proton Transfer (ESIPT)-Based Luminophores
  作者：Dominik Göbel、Pascal Rusch、Daniel Duvinage、Tim Stauch、Nadja-C. Bigall、Boris J. Nachtsheim

  DOI：10.1021/acs.joc.1c00846

  日期：2021.11.5

  Minimalistic 2-(oxazolinyl)-phenols substituted with different electron-donating and -withdrawing groups as well as 1,2,5-chalcogenadiazole-annulated derivatives thereof were synthesized and investigated in regard to their emission behavior in solution as well as in the solid state. Depending on the nature of the incorporated substituent and its position, emission efficiencies were increased or diminished

  合成了被不同给电子和吸电子基团取代的简约 2-(恶唑啉基)-苯酚及其 1,2,5-硫属二唑环化衍生物，并研究了它们在溶液和固体中的发射行为状态。根据引入的取代基的性质及其位置，发射效率会增加或减少，从而产生 AIE 或 ACQ 特性。单晶分析揭示了 J 型和 H 型包装基序以及迄今为止未描述的以酮形式分离的基于 ESIPT 的荧光团。
• Compounds
  申请人：AstraZeneca U.K. Limited

  公开号：US06162808A1

  公开（公告）日：2000-12-19

  The invention relates to new pharmaceutically active compounds which are P2-purinoceptor 7-transmembrane (TM) G-protein coupled receptor antagonists, compositions containing them and processes for their preparation.

  这项发明涉及新的药用活性化合物，它们是P2-嘌呤受体7-跨膜（TM）G蛋白偶联受体拮抗剂，包含它们的组合物以及它们的制备方法。
• Molybdenum(0)-Promoted Carbonylative Cyclization of<i>o</i>-Haloaryl- and β-Haloalkenylimine Derivatives by Oxidative Addition of a Carbon(sp²)Halogen Bond: Preparation of Two Types of γ-Lactams
  作者：Jun Takaya、Kenichiro Sangu、Nobuharu Iwasawa

  DOI：10.1002/anie.200902884

  日期：2009.9.7

  Lovely lactams: Synthetically useful γ‐lactam derivatives have been prepared through the unique title transformation. By utilizing the characteristic property of the molybdenum complex, two kinds of products (both of which have rarely been obtained by reactions catalyzed by late transition metals) were obtained selectively by adjusting the reaction conditions (see scheme).

  可爱的内酰胺：通过独特的标题转换已制备出可用于合成的γ-内酰胺衍生物。通过利用钼配合物的特性，通过调节反应条件有选择地获得了两种产物（两种产物很少通过后期过渡金属催化的反应获得）。
• Ruthenium-catalyzed Ortho-selective Aromatic C–H Silylation: Acceptorless Dehydrogenative Coupling of Hydrosilanes
  作者：Toru Sakurai、Yusuke Matsuoka、Tsurugi Hanataka、Naoaki Fukuyama、Takeshi Namikoshi、Shinji Watanabe、Miki Murata

  DOI：10.1246/cl.2012.374

  日期：2012.4.5

  The intermolecular dehydrogenative coupling of 1,1,1,3,5,5,5-heptamethyltrisiloxane with aromatic compounds such as aryloxazolines and arylimines in the presence of a catalytic amount of [RuCl2(p-c...

  1,1,1,3,5,5,5-七甲基三硅氧烷与芳族化合物如芳基恶唑啉和芳基亚胺在催化量的[RuCl2(pc...