6-(3-hydroxy-3-methyl-but-1-ynyl)-benzo(de)isochromene-1,3-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(3-hydroxy-3-methyl-but-1-ynyl)-benzo(de)isochromene-1,3-dione
• 英文别名: 4-(2-hydroxyprop-2-yl-ethynyl)naphthalic anhydride；8-(3-hydroxy-3-methylbut-1-ynyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
• 化学式: C₁₇H₁₂O₄
• 分子量: 280.28
• InChiKey: REIOAPDEQYXHGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(3-hydroxy-3-methyl-but-1-ynyl)-benzo(de)isochromene-1,3-dione 在 氢氧化钾 、 乙酸酐 作用下， 生成 4-ethynylnaphthalic anhydride
  参考文献：
  名称：

  具有乙炔基团的萘酸和双（萘酸）酐

  摘要：

  容易获得的 4-溴-18-萘二甲酸酐与乙炔或其衍生物的交叉偶联 Pd 催化反应产生具有乙炔基团的萘二甲酸酐和双（萘二甲酸酐）。已确定合成化合物中炔基交联的温度范围。

  DOI：

  10.1007/bf00702400
• 作为产物：
  描述：

  4-溴-1,8-萘二甲酸酐 、 2-甲基-3-丁炔-2-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三苯基膦 三乙胺 作用下， 以 吡啶 为溶剂， 反应 5.0h， 以80%的产率得到6-(3-hydroxy-3-methyl-but-1-ynyl)-benzo(de)isochromene-1,3-dione
  参考文献：
  名称：

  具有乙炔基团的萘酸和双（萘酸）酐

  摘要：

  容易获得的 4-溴-18-萘二甲酸酐与乙炔或其衍生物的交叉偶联 Pd 催化反应产生具有乙炔基团的萘二甲酸酐和双（萘二甲酸酐）。已确定合成化合物中炔基交联的温度范围。

  DOI：

  10.1007/bf00702400

文献信息

• INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME
  申请人：Purdue Research Foundation

  公开号：US20140350081A1

  公开（公告）日：2014-11-27

  An approach to identify and evaluate potential insecticide targets using publicly available genome (DNA) sequence information for arthropod disease vector is provided. The utility of this approach is demonstrated by first determining the molecular and pharmacological properties of two different dopamine (neurotransmitter) receptors identified in the genome of the yellow fever- and dengue-transmitting mosquito, Aedes aegypti . Next, different chemistries were tested for their ability to interact with one of these dopamine receptors in a chemical compound screen, and “hit” compounds were identified. Finally, it is shown that some of these chemistries, are selective for the mosquito over the human dopamine receptor and that these chemistries caused significant mortality in mosquito larvae 24 hours after exposure.
• [EN] INSECT AND TICK G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME<br/>[FR] RÉCEPTEURS COUPLÉS AUX PROTÉINES G D'INSECTES ET DE TIQUES UTILES EN TANT QUE CIBLES POUR INSECTICIDES, ET COMPOSÉS ET RÉACTIFS IDENTIFIÉS À L'AIDE DESDITS RÉCEPTEURS
  申请人：PURDUE RESEARCH FOUNDATION

  公开号：WO2013067519A2

  公开（公告）日：2013-05-10

  An approach to identify and evaluate potential insecticide targets using publicly available genome (DNA) sequence information for arthropod disease vector is provided. The utility of this approach is demonstrated by first determining the molecular and pharmacological properties of two different dopamine (neurotransmitter) receptors identified in the genome of the yellow fever- and dengue-transmitting mosquito, Aedes aegypti. Next, different chemistries were tested for their ability to interact with one of these dopamine receptors in a chemical compound screen, and "hit" compounds were identified. Finally, it is shown that some of these chemistries, are selective for the mosquito over the human dopamine receptor and that these chemistries caused significant mortality in mosquito larvae 24 hours after exposure.
• Naphthalic and bis(naphthalic) anhydrides with acetylene groups
  作者：J. A. Khotina、A. L. Rusanov

  DOI：10.1007/bf00702400

  日期：1995.3

  Cross-coupling Pd-catalyzed reactions of readily available 4-bromo-18-naphthalic anhydride with acetylene or its derivatives result in naphthalic and bis(naphthalic) anhydrides with acetylene groups. The temperature ranges of the cross-linking of the acetylenic groups in the synthesized compounds have been determined.

  容易获得的 4-溴-18-萘二甲酸酐与乙炔或其衍生物的交叉偶联 Pd 催化反应产生具有乙炔基团的萘二甲酸酐和双（萘二甲酸酐）。已确定合成化合物中炔基交联的温度范围。