2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4,5-dimethoxybenzoic acid | 52962-37-5

• 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-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4,5-dimethoxybenzoic acid
• CAS: 52962-37-5
• 化学式: C₁₆H₂₀O₈
• 分子量: 340.33
• InChiKey: BDOJZVQPGLDTLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4,5-dimethoxybenzoic acid 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-甲羧基-3,4-二甲氧基-苯乙酸
  参考文献：
  名称：

  Efficient copper-free Pd(OAc)2/Ruphos-catalyzed Sonogashira coupling in the preparation of 3′-hydroxycorfin and gymnopalynes A analogues

  摘要：

  An efficient method involving copper-free Pd(OAc)(2)/Ruphos-catalyzed Sonogashira coupling strategy for a variety of 3-alkynyl isochromen-1-ones has been developed. Sonogashira coupling in the presence of catalytic system-Pd(OAc)(2)/Ruphos, Et3N base, and tetrahydrofuran solvent under aqueous and room temperature conditions, provided novel 3-(allcynyl)-1H-isochromen-1-ones in excellent yields. The methodology has also been extended toward natural isochromen-1-one-3'-hydroxycorfin and gymnopalynes A analogues. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.11.059
• 作为产物：
  描述：

  3,4-dimethoxybenzoic acid 在 盐酸 、 溴 、 sodium hydride 、 copper(I) bromide 作用下， 以 水 、 mineral oil 为溶剂， 反应 7.0h， 生成 2-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4,5-dimethoxybenzoic acid
  参考文献：
  名称：

  Efficient copper-free Pd(OAc)2/Ruphos-catalyzed Sonogashira coupling in the preparation of 3′-hydroxycorfin and gymnopalynes A analogues

  摘要：

  An efficient method involving copper-free Pd(OAc)(2)/Ruphos-catalyzed Sonogashira coupling strategy for a variety of 3-alkynyl isochromen-1-ones has been developed. Sonogashira coupling in the presence of catalytic system-Pd(OAc)(2)/Ruphos, Et3N base, and tetrahydrofuran solvent under aqueous and room temperature conditions, provided novel 3-(allcynyl)-1H-isochromen-1-ones in excellent yields. The methodology has also been extended toward natural isochromen-1-one-3'-hydroxycorfin and gymnopalynes A analogues. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.11.059

文献信息

• NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION
  申请人：Bardiot Dorothée

  公开号：US20110224208A1

  公开（公告）日：2011-09-15

  The present invention relates to a series of Isoquinolone derivatives which are suitable to treat infections with viruses belonging to the family of the Flaviviridae and more preferably infections with Hepatitis C virus (HCV). The present invention also relates to Isoquinolone compounds for use as a medicine for the prevention or treatment of viral infections, preferably infections with viruses belonging to the family of the Flaviviridae.

  本发明涉及一系列异喹啉衍生物，适用于治疗属于黄病毒科家族的病毒感染，更优选地是治疗丙型肝炎病毒（HCV）感染。本发明还涉及异喹啉化合物作为预防或治疗病毒感染的药物，优选是治疗属于黄病毒科家族的病毒感染。
• [EN] ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION<br/>[FR] NOUVEAUX INHIBITEURS DE LA RÉPLICATION DE FLAVIVIRUS
  申请人：UNIV LEUVEN KATH

  公开号：WO2010055164A3

  公开（公告）日：2010-07-08
• Palladium catalyzed Suzuki Miyaura cross coupling of 3-chloroisochromen-1-one: synthesis of glomellin and reticulol analogues
  作者：Yadavalli Suneel Kumar、Changalaraya Dasaradhan、Kamalakannan Prabakaran、Pitchai Manivel、Fazlur-Rahman Nawaz Khan、Euh Duck Jeong、Eun Hyuk Chung

  DOI：10.1016/j.tetlet.2014.12.114

  日期：2015.2

  A facile protocol has been developed for a series of 3-substituted isochromen-1-ones utilizing Suzuki coupling strategy. The reaction of 3-chloroisochromen-1 one, 1 with different boronic acids utilizing PdCl2(PPh3)(2)-Ruphos catalytic system gave diversified 3-substituted isochromen-1-ones in excellent yields. The methodology has been utilized in the synthesis of glomellin and reticulol analogues. (C) 2014 Elsevier Ltd. All rights reserved.
• Efficient and convenient copper-free Pd(OAc)2/Ruphos-catalyzed Sonogashira coupling in the preparation of corfin analogues
  作者：Changalaraya Dasaradhan、Yadavalli Suneel Kumar、Kamalakannan Prabakaran、Fazlur-Rahman Nawaz Khan、Euh Duck Jeong、Eun Hyuk Chung

  DOI：10.1016/j.tetlet.2014.12.059

  日期：2015.2

  The Sonogashira coupling reaction of 3-chloro-1H-isochromen-1-one and terminal alkynes, in the presence of catalytic system-Pd(OAc)(2)/Ruphos, Et3N base, and tetrahydrofuran solvent under aqueous conditions, provided novel 3-(alkynyI)-1H-isochromen-1-ones in excellent yields. The methodology has also been extended toward natural isochromen-1-ones corfin analogues. (C) 2014 Elsevier Ltd. All rights reserved.
• BRUGGINK A.; MCKILLOP A., TETRAHEDRON <TETR-AB>, 1975, 31, NO 20, 2607-2619
  作者：BRUGGINK A.、 MCKILLOP A.

  DOI：——

  日期：——