(2-烯丙基苯基)硼酸频哪醇酯 | 857934-92-0

• 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-烯丙基苯基)硼酸频哪醇酯
• 英文名称: 4,4,5,5-tetramethyl-2-[2-(2-propenyl)phenyl]-1,3,2-dioxaborolane
• 英文别名: 2-(2-allylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-allylphenylboronic acid pinacol ester；(2-allylphenyl)boronic acid pinacol ester；4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane
• CAS: 857934-92-0
• 化学式: C₁₅H₂₁BO₂
• 分子量: 244.142
• InChiKey: DJVJQUXDYIOXFO-UHFFFAOYSA-N

物化性质

• 沸点：
  337.1±21.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 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-烯丙基苯基)硼酸频哪醇酯 在 盐酸 、 sodium periodate 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以72%的产率得到(2-allylphenyl)boronic acid
  参考文献：
  名称：

  Bromo-Boronolactonization of Olefins¹

  摘要：

  Exposure of a variety of mono- and disubstituted ortho-alkenylarylboronic acids to NBS in THF/ H2O under neutral conditions affords bromo-boronolactones, in some instances, with exceptional regiocontrol. The adducts, analogous to those formed by carboxylic acids, are shown to be useful synthetic intermediates.

  DOI：

  10.1021/jo015838z
• 作为产物：
  描述：

  频哪醇 在 lithium chloro-isopropyl-magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 17.5h， 生成 (2-烯丙基苯基)硼酸频哪醇酯
  参考文献：
  名称：

  混合双金属芳族和杂芳族硼镁试剂的制备和选择性反应。

  摘要：

  DOI：

  10.1002/anie.200462928

文献信息

• KRAS G12C INHIBITORS AND METHODS OF USING THE SAME
  申请人：Amgen Inc.

  公开号：US20190374542A1

  公开（公告）日：2019-12-12

  Provided herein are KRAS G12C inhibitors, such as composition of the same, and methods of using the same. These inhibitors are useful for treating a number of disorders, including pancreatic, colorectal, and lung cancers.

  本文提供了KRAS G12C抑制剂，例如其组成，以及使用这些抑制剂的方法。这些抑制剂对治疗多种疾病有用，包括胰腺癌、结肠癌和肺癌。
• Synthesis of 1,3-Substituted Cyclobutanes by Allenoate-Alkene [2 + 2] Cycloaddition
  作者：Michael L. Conner、M. Kevin Brown

  DOI：10.1021/acs.joc.6b01446

  日期：2016.9.2

  A method for the [2 + 2] cycloaddition of terminal alkenes with allenoates is presented. This process allows for the rapid synthesis of 1,3-substituted cyclobutanes in high yield under simple and robust reaction conditions.

  提出了末端烯烃与联烯酸酯的[2+2]环加成方法。该方法可以在简单且稳定的反应条件下快速高产率合成 1,3-取代环丁烷。
• [EN] MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES SUBSTITUÉS PAR UN BENZYLE MOYEN CYCLE OU MACROCYCLIQUE ET LEURS UTILISATIONS EN TANT QU'AGONISTES DU RÉCEPTEUR DE L'OREXINE 2
  申请人：OREXIA THERAPEUTICS LTD

  公开号：WO2022051583A1

  公开（公告）日：2022-03-10

  The present disclosure relates to compounds of Formula (I') and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for modulating orexin-2 receptor activity and may be used m the treatment of disorders in which orexin-2 receptor activity is implicated, such as narcolepsy, a hypersomnia disorder, a neurodegenerative disorder, a symptom of a rare genetic disorder, a mental health disorder, a metabolic syndrome, osteoporosis, cardiac failure, coma, or facilitating emergence from anaesthesia.

  本公开涉及式(I')的化合物及其前药、药用盐、药物组合物、使用方法和制备方法。本文所披露的化合物可用于调节促脑二受体活性，并可用于治疗促脑二受体活性参与的疾病，如嗜睡症、一种嗜睡症障碍、神经退行性疾病、罕见遗传疾病的症状、心理健康障碍、代谢综合征、骨质疏松症、心力衰竭、昏迷或促进麻醉苏醒。
• Design, Generation, and Synthetic Application of Borylzincate: Borylation of Aryl Halides and Borylzincation of Benzynes/Terminal Alkyne
  作者：Yuki Nagashima、Ryo Takita、Kengo Yoshida、Keiichi Hirano、Masanobu Uchiyama

  DOI：10.1021/ja409748m

  日期：2013.12.18

  Borylzincate was generated in situ from dialkylzinc, diboron, and metal alkoxide. Model DFT calculations showed that although the formation of borylzincate is kinetically favorable, it is thermodynamically unfavorable. Therefore, we designed a successive reaction sequence that would provide a compensating energy gain. This enabled Zn-catalyzed borylation of aryl halides and borylzincation of benzynes and terminal alkyne from diborons without the need for any cocatalyst.
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：[en]VERTEX PHARMACEUTICALS INCORPORATED

  公开号：WO2023154291A1

  公开（公告）日：2023-08-17

  This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR), pharmaceutical compositions containing at least one such modulator, methods of treatment of cystic fibrosis using such modulators and pharmaceutical compositions, and processes for making such modulators.