(4-butoxy-3-methoxyphenyl)boronic acid | 1569688-68-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-butoxy-3-methoxyphenyl)boronic acid
• 英文别名: 4-butoxy-3-methoxyphenylboronic acid
• CAS: 1569688-68-1
• 化学式: C₁₁H₁₇BO₄
• 分子量: 224.065
• InChiKey: OWFDQINPXHEJPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.55
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3,5-三(溴甲基)苯 、 (4-butoxy-3-methoxyphenyl)boronic acid 在 sodium carbonate 、 palladium dichloride 作用下， 以 水 、 丙酮 为溶剂， 反应 84.0h， 以81%的产率得到1,3,5-tris(4-butoxy-3-methoxybenzyl)benzene
  参考文献：
  名称：

  Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics

  摘要：

  A facile and efficient self-sorting assemble (CSA) strategy has been paved for bottom-up construction of the 3-fold symmetrical and highly substituted hexa-cata-hexabenzocoronenes (c-HBCs), the trithieno analogues, and larger disc-shaped PAHs from simple chemicals using benzylic carbons as tenon joints and a novel FeCl3-mediated AAA process as a key step. The structures of the as-prepared c-HBCs and related NGs were clearly identified by spectral analyses and X-ray crystallographic studies. Moreover, these can be envisaged to serve as new launching platforms for the construction of larger and more complex g-conjugated molecules and supramolecular architectures because of the modifiable and symmetrical decorations.

  DOI：

  10.1021/ja413018f
• 作为产物：
  描述：

  4-溴邻甲氧基苯酚 在 正丁基锂 、 硼酸三异丙酯 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 正己烷 、 丙酮 为溶剂， 反应 50.0h， 生成 (4-butoxy-3-methoxyphenyl)boronic acid
  参考文献：
  名称：

  Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics

  摘要：

  A facile and efficient self-sorting assemble (CSA) strategy has been paved for bottom-up construction of the 3-fold symmetrical and highly substituted hexa-cata-hexabenzocoronenes (c-HBCs), the trithieno analogues, and larger disc-shaped PAHs from simple chemicals using benzylic carbons as tenon joints and a novel FeCl3-mediated AAA process as a key step. The structures of the as-prepared c-HBCs and related NGs were clearly identified by spectral analyses and X-ray crystallographic studies. Moreover, these can be envisaged to serve as new launching platforms for the construction of larger and more complex g-conjugated molecules and supramolecular architectures because of the modifiable and symmetrical decorations.

  DOI：

  10.1021/ja413018f

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS D'UTILISATION
  申请人：MEDIVATION TECHNOLOGIES INC

  公开号：WO2015058084A1

  公开（公告）日：2015-04-23

  The present application discloses compounds that are inhibitors of Btk, compounds that are inhibitors of ΡΒΚδ, and compounds that are dual inhibitors of both Btk and PI3Kδ. Also described are methods for synthesizing such inhibitors and methods for using such inhibitors for the treatment of diseases wherein inhibition of Btk and PI3Kδ provides a therapeutic benefit to a patient having the disease.

  本申请公开了抑制Btk的化合物、抑制ΡΒΚδ的化合物，以及既是Btk又是PI3Kδ的双重抑制剂的化合物。还描述了合成这些抑制剂的方法，以及利用这些抑制剂治疗疾病的方法，其中抑制Btk和PI3Kδ对患有该疾病的患者提供治疗益处。
• Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics
  作者：Qiang Zhang、Hanqing Peng、Guishan Zhang、Qiongqiong Lu、Jian Chang、Yeye Dong、Xianying Shi、Junfa Wei

  DOI：10.1021/ja413018f

  日期：2014.4.2

  A facile and efficient self-sorting assemble (CSA) strategy has been paved for bottom-up construction of the 3-fold symmetrical and highly substituted hexa-cata-hexabenzocoronenes (c-HBCs), the trithieno analogues, and larger disc-shaped PAHs from simple chemicals using benzylic carbons as tenon joints and a novel FeCl3-mediated AAA process as a key step. The structures of the as-prepared c-HBCs and related NGs were clearly identified by spectral analyses and X-ray crystallographic studies. Moreover, these can be envisaged to serve as new launching platforms for the construction of larger and more complex g-conjugated molecules and supramolecular architectures because of the modifiable and symmetrical decorations.