2-(2-(tert-butyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 1589507-60-7

• 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: 2-(2-(tert-butyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 英文别名: 2-(2-Tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-(2-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS: 1589507-60-7
• 化学式: C₁₆H₂₅BO₂
• 分子量: 260.184
• InChiKey: ZMZSXNVRQCYISN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-(tert-butyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 在 copper(ll) bromide 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以70%的产率得到1-溴-2-叔丁基苯
  参考文献：
  名称：

  METHODS AND COMPOSITIONS FOR TREATING INFECTION

  摘要：

  本文提供了用于治疗或预防感染的组合物和方法。

  公开号：

  US20150238473A1
• 作为产物：
  描述：

  2-叔丁基苯酚 在 吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 2-(2-(tert-butyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  参考文献：
  名称：

  手性螺磷酸配体通过钯催化的CH卤代对映体选择性合成联芳基阻转异构体

  摘要：

  同时调节反应性和有效控制立体选择性的合适配体的发现是对映选择性CH活化领域的中心课题。在本文中，我们报道了通过Pd催化的Atrooselective CH烯化合成轴向手性联芳基。新型手性螺磷酸STRIP被确定为该转化的优良配体。以高收率和优异的对映选择性（高达98％ee）合成了多种轴向手性喹啉衍生物。使用密度泛函理论来获得对该反应中对映选择性的理论理解。

  DOI：

  10.1002/anie.201902126

文献信息

• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• N-TYPE SEMICONDUCTOR COMPOSITION, AND THIN FILM, ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20200365807A1

  公开（公告）日：2020-11-19

  Disclosed are an N-type semiconductor composition including fullerene or a fullerene derivative; and fullerene subunit derivative represented by Chemical Formula 1, and a thin film, an organic photoelectric device, an image sensor and an electronic device including the same. In Chemical Formula 1, X, Cy and R 1 to R 8 are the same as defined in the detailed description.

  本发明涉及一种包括富勒烯或富勒烯衍生物的N型半导体组成物；以及化学式1所代表的富勒烯亚基衍生物，以及包括该组成物的薄膜、有机光电器件、图像传感器和电子设备。在化学式1中，X、Cy和R1到R8的定义与详细说明中定义的相同。
• Repurposing the Antihistamine Terfenadine for Antimicrobial Activity against <i>Staphylococcus aureus</i>
  作者：Jessamyn I. Perlmutter、Lauren T. Forbes、Damian J. Krysan、Katherine Ebsworth-Mojica、Jennifer M. Colquhoun、Jenna L. Wang、Paul M. Dunman、Daniel P. Flaherty

  DOI：10.1021/jm5010682

  日期：2014.10.23

  Staphylococcus aureus is a rapidly growing health threat in the U.S., with resistance to several commonly prescribed treatments. A high-throughput screen identified the antihistamine terfenadine to possess, previously unreported, antimicrobial activity against S. aureus and other Gram-positive bacteria. In an effort to repurpose this drug, structure-activity relationship studies yielded 84 terfenadine-based analogues with several modifications providing increased activity versus S. aureus and other bacterial pathogens, including Mycobacterium tuberculosis. Mechanism of action studies revealed these compounds to exert their antibacterial effects, at least in part, through inhibition of the bacterial type II topoisomerases. This scaffold suffers from hERG liabilities which were not remedied through this round of optimization; however, given the overall improvement in activity of the set, terfenadine-based analogues provide a novel structural class of antimicrobial compounds with potential for further characterization as part of the continuing process to meet the current need for new antibiotics.
• Enantioselective Synthesis of Biaryl Atropisomers by Pd‐Catalyzed C−H Olefination using Chiral Spiro Phosphoric Acid Ligands
  作者：Jun Luo、Tao Zhang、Lei Wang、Gang Liao、Qi‐Jun Yao、Yong‐Jie Wu、Bei‐Bei Zhan、Yu Lan、Xu‐Feng Lin、Bing‐Feng Shi

  DOI：10.1002/anie.201902126

  日期：2019.5.13

  in the field of enantioselective C−H activation. Herein, we reported the synthesis of axially chiral biaryls by Pd‐catalyzed atroposelective C−H olefination. A novel chiral spiro phosphoric acid, STRIP, was identified as a superior ligand for this transformation. A broad range of axially chiral quinoline derivatives were synthesized in good yields with excellent enantioselectivities (up to 98 % ee)

  同时调节反应性和有效控制立体选择性的合适配体的发现是对映选择性CH活化领域的中心课题。在本文中，我们报道了通过Pd催化的Atrooselective CH烯化合成轴向手性联芳基。新型手性螺磷酸STRIP被确定为该转化的优良配体。以高收率和优异的对映选择性（高达98％ee）合成了多种轴向手性喹啉衍生物。使用密度泛函理论来获得对该反应中对映选择性的理论理解。