4-(2-methylbut-3-yn-2-yloxy)biphenyl | 127952-77-6

• 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-(2-methylbut-3-yn-2-yloxy)biphenyl
• 英文别名: 1-(2-Methylbut-3-yn-2-yloxy)-4-phenylbenzene
• CAS: 127952-77-6
• 化学式: C₁₇H₁₆O
• 分子量: 236.313
• InChiKey: WKNBHRQOZITRDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(2-methylbut-3-yn-2-yloxy)biphenyl 以 N,N-二甲基苯胺 为溶剂， 反应 4.0h， 生成 2,2-dimethyl-6-phenyl-2H-chromene
  参考文献：
  名称：

  Asymmetric Epoxidation of Alkenes Catalyzed by a Porphyrin-Inspired Manganese Complex

  摘要：

  A novel strategy for catalytic asymmetric epoxidation of a wide variety of olefins by a porphyrin-inspired chiral manganese complex using H2O2 as a terminal oxidant in excellent yield with up to greater than 99% ee has been successfully developed.

  DOI：

  10.1021/ol401812h
• 作为产物：
  描述：

  3-氯-3-甲基-1-丁炔 、 对羟基联苯 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 72.0h， 生成 4-(2-methylbut-3-yn-2-yloxy)biphenyl
  参考文献：
  名称：

  铜催化的炔烃分子内碳三氟甲基化反应用于构建三氟甲基化杂环

  摘要：

  在存在作为三氟甲基化试剂的Togni试剂的情况下，已实现了温和有效的铜催化炔烃分子内碳三氟甲基化反应。该反应容许一定范围的底物，以产生具有高选择性的一组三氟甲基化的杂环。根据实验结果提出了一个合理的机制。

  DOI：

  10.1002/chem.201404386

文献信息

• Variation in the aromatic ring of cromakalim: antihypertensive activity of pyranopyridines and 6-alkyl-2H-1-benzopyrans
  作者：Gordon Burrell、Frederick Cassidy、John M. Evans、Diane Lightowler、Geoffrey Stemp

  DOI：10.1021/jm00173a018

  日期：1990.11

  The synthesis and antihypertensive activity in the spontaneously hypertensive rat of two new series of analogues related to cromakalim (1) are described. In the first series, where the benzopyran nucleus has been replaced by a pyranopyridine nucleus, the position of the nitrogen atom has been found to be critical for activity, and the most potent compounds are the pyrano[3,2-c]pyridines. In the second series, where the powerful electron-withdrawing cyano group of compound 1 has been replaced by alkyl and phenyl groups, the order of antihypertensive potency is ethyl, isopropyl, tert-butyl greater than propyl, cyclopentyl greater than methyl greater than phenyl.
• Synthesis and antimycobacterial evaluation of benzofurobenzopyran analogues
  作者：Soizic Prado、Yves L. Janin、Brigitte Saint-Joanis、Priscille Brodin、Sylvie Michel、Michel Koch、Stewart T. Cole、François Tillequin、Pierre-Etienne Bost

  DOI：10.1016/j.bmc.2006.12.009

  日期：2007.3

  We recently reported that 3,3-dimethyl-3H-benzofuro[3,2,f][1]-benzopyran and its hydrogenated analogue are selective in vitro inhibitors of mycobacterial growth. However, their lack of in vivo activity on a murine model of Mycobacterium tuberculosis infection due to their poor bioavailability led to a structure-activity relationship investigation. We wish to report here the preparation of some structural analogues along with their biological effect on the growth of Mycobacterium smegmatis, M. tuberculosis, as well as on VERO cells for the most active compound. (c) 2006 Elsevier Ltd. All rights reserved.
• BURRELL, GORDON;CASSIDY, FREDERICK;EVANS, JOHN M.;LIGHTOWLER, DIANE;STEMP+, J. MED. CHEM., 33,(1990) N1, C. 3023-3027
  作者：BURRELL, GORDON、CASSIDY, FREDERICK、EVANS, JOHN M.、LIGHTOWLER, DIANE、STEMP+

  DOI：——

  日期：——
• Asymmetric Epoxidation of Alkenes Catalyzed by a Porphyrin-Inspired Manganese Complex
  作者：Wen Dai、Jun Li、Guosong Li、Hua Yang、Lianyue Wang、Shuang Gao

  DOI：10.1021/ol401812h

  日期：2013.8.16

  A novel strategy for catalytic asymmetric epoxidation of a wide variety of olefins by a porphyrin-inspired chiral manganese complex using H2O2 as a terminal oxidant in excellent yield with up to greater than 99% ee has been successfully developed.
• Copper-Catalyzed Intramolecular Carbotrifluoromethylation of Alkynes for the Construction of Trifluoromethylated Heterocycles
  作者：Yanan Wang、Min Jiang、Jin-Tao Liu

  DOI：10.1002/chem.201404386

  日期：2014.11.17

  A mild and efficient copper‐catalyzed intramolecular carbotrifluoromethylation of alkynes has been achieved in the presence of Togni reagent as trifluoromethylating reagent. The reaction tolerates a range of substrates to give a group of trifluoromethylated heterocycles with high selectivities. A plausible mechanism was proposed on the basis of experimental results.

  在存在作为三氟甲基化试剂的Togni试剂的情况下，已实现了温和有效的铜催化炔烃分子内碳三氟甲基化反应。该反应容许一定范围的底物，以产生具有高选择性的一组三氟甲基化的杂环。根据实验结果提出了一个合理的机制。