6-chloro-7-methyl-3-phenyl-4H-chromen-4-one | 97318-75-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 6-chloro-7-methyl-3-phenyl-4H-chromen-4-one
• 英文别名: 6-Chlor-7-methyl-isoflavon；6-chloro-7-methyl-3-phenyl-chromen-4-one；6-Chloro-7-methylisoflavone；6-chloro-7-methyl-3-phenylchromen-4-one
• CAS: 97318-75-7
• 化学式: C₁₆H₁₁ClO₂
• 分子量: 270.715
• InChiKey: FFBRGLCFFSFBHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-1-(5-chloro-2-hydroxy-4-methylphenyl)-3-(dimethylamino)prop-2-en-1-one 、 benzenediazonium tetrafluoroborate 在 eosin 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以90%的产率得到6-chloro-7-methyl-3-phenyl-4H-chromen-4-one
  参考文献：
  名称：

  Visible-light-mediated arylation of ortho-hydroxyarylenaminones: direct access to isoflavones

  摘要：

  第一个可见光促进的直接合成异黄酮的方法是通过芳基锑盐对邻位羟基芳基胺酮的芳基化反应而开发的。

  DOI：

  10.1039/c9cc09945j

文献信息

• [EN] COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH<br/>[FR] COMPOSES UTILES DANS L'INHIBITION DE ALDH
  申请人：ENDOWMENT FOR RES IN HUMAN BIO

  公开号：WO2004002470A1

  公开（公告）日：2004-01-08

  The present invention provides novel antidipsotropic compounds. The invention further provides methods of inhibiting ALDH-2 using the compounds described herein. Methods for modulating alcohol consumption, alcohol dependence and/or alcohol abuse by administering the compounds of the invention to an individual are also provided. The present invention further provides a rationale for designing additional novel antidipsotropic compounds.

  本发明提供了一种新型的抗酒精致病化合物。本发明进一步提供了使用所述化合物抑制ALDH-2的方法。本发明还提供了通过向个体投给本发明的化合物来调节饮酒量、酒精依赖和/或酒精滥用方法。本发明进一步提供了设计其他新型抗酒精致病化合物的理论基础。
• Pd-Catalyzed Efficient Cross-Couplings of 3-Iodochromones with Triaryl­bismuths as Substoichiometric Multicoupling Organometallic Nucleophiles
  作者：Maddali Rao、Varadhachari Venkatesh、Deepak Jadhav

  DOI：10.1055/s-0029-1217959

  日期：2009.10

  An efficient cross-coupling of 3-iodochromones with triarylbismuths under catalytic palladium conditions is reported. Triarylbismuths were employed as substoichiometric multicoupling nucleophiles for the synthesis of a variety of substituted isoflavones. Under the established protocol, cross-coupling reactions were found to be very efficient, furnishing high yields of products.

  报告了在钯催化条件下 3-碘色酮与三芳基铋的高效交叉偶联。三芳基铋被用作亚公倍数多偶联亲核物，用于合成多种取代的异黄酮。在既定的方案下，交叉耦合反应非常有效，产物收率高。
• Compounds useful for the inhibition of ALDH
  申请人：The Endowment for Research in Human Biology, Inc,

  公开号：US20040068003A1

  公开（公告）日：2004-04-08

  The present invention provides novel antidipsotropic compounds. The invention further provides methods of inhibiting ALDH-2 using the compounds described herein. Methods for modulating alcohol consumption, alcohol dependence and/or alcohol abuse by administering the compounds of the invention to an individual are also provided. The present invention further provides a rationale for designing additional novel antidipsotropic compounds.

  本发明提供了新型的抗酒瘾化合物。本发明还提供了使用所述化合物抑制ALDH-2的方法。本发明还提供了通过向个体施用本发明的化合物来调节饮酒、酒精依赖和/或酗酒的方法。本发明还为设计其他新型抗酒瘾化合物提供了理论依据。
• EP1542675A4
  申请人：——

  公开号：EP1542675A4

  公开（公告）日：2008-11-19
• COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH
  申请人：The Endowment For Research In Human Biology, Inc.

  公开号：EP1542675A1

  公开（公告）日：2005-06-22