3-tert-butyl-1H-isochromene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-tert-butyl-1H-isochromene
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: KHLGSEBCBCQAIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-(3,3-dimethylbut-1-yn-1-yl)benzaldehyde 在 dichloro(pyridine-2-carboxylato)gold(III) 、 二氢吡啶 作用下， 以 甲苯 为溶剂， 以87%的产率得到3-tert-butyl-1H-isochromene
  参考文献：
  名称：

  Synthesis of Functionalized 1H-Isochromene Derivatives via a Au-Catalyzed Domino Cycloisomerization/Reduction Approach

  摘要：

  A Au-catalyzed versatile and efficient access to 1H-isochromenes is reported. The efficiency of the [AuCl2(Pic)] complex (15 mol %) was demonstrated and allowed a domino cycloisomerization/reduction reaction process starting from a wide range of functionalized ortho-alkynylbenzaldehydes and one example of ortho-alkynylpyridinylaldehyde. The smooth reaction conditions were amenable to aryl- and alkyl-substituted alkynyl derivatives, as well as functionalized halogen and ether moieties, leading to a chemo- and regioselective 6-endo-cyclization with good to excellent yields.

  DOI：

  10.1021/acs.orglett.5b03146

文献信息

• QUINOLONE COMPOUND
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20140179675A1

  公开（公告）日：2014-06-26

  The present invention provides a compound represented by the formula (I) wherein X is a hydrogen atom or a fluorine atom; R is a hydrogen atom or alkyl; R 1 is (1) cyclopropyl optionally substituted by 1 to 3 halogen atoms or (2) phenyl optionally substituted by 1 to 3 halogen atoms; R 2 is alkyl, alkoxy, haloalkoxy, a halogen atom, cyano, etc.; and R 3 is 7-oxo-7,8-dihydro-1,8-naphthyridinyl, 3-pyridyl, etc., or a salt thereof. The compound of the present invention has excellent antimicrobial activity against Clostridium difficile and is useful for the prevention or treatment of intestinal infection such as Clostridium difficile -associated diarrhea.

  本发明提供了一种由式(I)表示的化合物 其中X是氢原子或氟原子；R是氢原子或烷基；R 1 是(1)环丙基，可选地取代1至3个卤素原子，或(2)苯基，可选地取代1至3个卤素原子；R 2 是烷基，烷氧基，卤代烷氧基，卤素原子，氰基等；R 3 是7-氧代-7,8-二氢-1,8-萘啉基，3-吡啶基等，或其盐。本发明的化合物对 艰难梭菌 具有优异的抗菌活性，并可用于预防或治疗肠道感染，如 艰难梭菌 相关性腹泻。
• Gold-Catalyzed Benzylic CH Activation at Room Temperature
  作者：A. Stephen K. Hashmi、Sascha Schäfer、Michael Wölfle、Cesar Diez Gil、Peter Fischer、Antonio Laguna、M. Carmen Blanco、M. Concepción Gimeno

  DOI：10.1002/anie.200701521

  日期：2007.8.13
• US9440951B2
  申请人：——

  公开号：US9440951B2

  公开（公告）日：2016-09-13