methyl 4-(3,4-dimethoxyphenyl)-4-oxobut-2-ynoate | 222633-66-1

• 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: methyl 4-(3,4-dimethoxyphenyl)-4-oxobut-2-ynoate
• 英文别名: methyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butynoate
• CAS: 222633-66-1
• 化学式: C₁₃H₁₂O₅
• 分子量: 248.235
• InChiKey: YJRUVGCDWKURJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(3,4-dimethoxyphenyl)-4-oxobut-2-ynoate 在 硫酸 、 zinc(II) iodide 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 生成 2,3-dimethoxy-6,7-dimethylanthracene-9,10-dione
  参考文献：
  名称：

  Synthesis of Fluorenone and Anthraquinone Derivatives from Aryl- and Aroyl-Substituted Propiolates

  摘要：

  Fluorenone derivatives were generated from aryl-substituted propiolates via a cobalt-catalyzed Diels-Alder reaction/DDQ-oxidation and Friedel-Crafts-type cyclization. Several functional groups are tolerated, and good to excellent overall yields (up to 89%) could be achieved. For the synthesis of anthraquinone derivatives, aroyl-substituted propiolates were applied in a zinc iodide catalyzed Die Is Alder reaction with 1,3-dienes. The subsequent DDQ oxidation and Friedel-Crafts-type cyclization led to symmetrical as well as some unsymmetrical anthraquinones in good to excellent yields of up to 87% over the three-step reaction sequence.

  DOI：

  10.1021/ol4023276
• 作为产物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 甲苯 为溶剂， 生成 methyl 4-(3,4-dimethoxyphenyl)-4-oxobut-2-ynoate
  参考文献：
  名称：

  Synthesis of Fluorenone and Anthraquinone Derivatives from Aryl- and Aroyl-Substituted Propiolates

  摘要：

  Fluorenone derivatives were generated from aryl-substituted propiolates via a cobalt-catalyzed Diels-Alder reaction/DDQ-oxidation and Friedel-Crafts-type cyclization. Several functional groups are tolerated, and good to excellent overall yields (up to 89%) could be achieved. For the synthesis of anthraquinone derivatives, aroyl-substituted propiolates were applied in a zinc iodide catalyzed Die Is Alder reaction with 1,3-dienes. The subsequent DDQ oxidation and Friedel-Crafts-type cyclization led to symmetrical as well as some unsymmetrical anthraquinones in good to excellent yields of up to 87% over the three-step reaction sequence.

  DOI：

  10.1021/ol4023276

文献信息

• Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents
  申请人：——

  公开号：US20020137739A1

  公开（公告）日：2002-09-26

  Tricyclic triazolobenzazepine derivatives in the form of a prodrug are provided. The compounds according to the present invention are those represented by formula (I) and pharmacologically acceptable salts and solvates thereof. The compounds are useful as antiallergic agents and exhibit excellent bioavailability. 1 wherein R 1 represents hydrogen, OH, alkyl or phenyl alkyl, R 2 , R 3 , R 4 , and R 5 represent hydrogen, halogen, optionally protected hydroxyl, formyl, optionally substituted alkyl, alkenyl, alkoxy or the like, and Q represents a group selected from the following groups (i) to (iv), halogen, or alkoxy: 2

  本发明提供了以前药的三环三唑苯并戊二烯衍生物。根据本发明的化合物是由公式（I）表示的，并且是药理学上可接受的盐和溶剂化物。这些化合物可用作抗过敏剂，并表现出优异的生物利用度。其中R1代表氢，OH，烷基或苯基烷基，R2、R3、R4和R5代表氢，卤素，可选保护的羟基，甲酰基，可选取代的烷基，烯基，烷氧基或类似物，而Q代表从以下组（i）到（iv）中选择的一组，卤素或烷氧基。
• TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND ANTIALLERGIC
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1026167A1

  公开（公告）日：2000-08-09

  Tricyclic triazolobenzazepine derivatives in the form of a prodrug are provided. The compounds according to the present invention are those represented by formula (I) and pharmacologically acceptable salts and solvates thereof. The compounds are useful as antiallergic agents and exhibit excellent bioavailability. wherein R1 represents hydrogen, OH, alkyl or phenyl alkyl, R2, R3, R4, and R5 represent hydrogen, halogen, optionally protected hydroxyl, formyl, optionally substituted alkyl, alkenyl, alkoxy or the like, and Q represents a group selected from the following groups (i) to (iv), halogen, or alkoxy:

  本发明提供了原药形式的三环三唑并氮杂卓衍生物。根据本发明的化合物是由式（I）代表的化合物及其药理学上可接受的盐和溶液。这些化合物可用作抗过敏剂，并具有良好的生物利用度。 其中 R1 代表氢、OH、烷基或苯基烷基、 R2、R3、R4 和 R5 代表氢、卤素、任选保护的羟基、甲酰基、任选取代的烷基、烯基、烷氧基或类似物，以及 Q 代表选自以下基团 (i) 至 (iv)、卤素或烷氧基：
• TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND ANTIALLERGIC AGENTS
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1026167B1

  公开（公告）日：2003-03-05
• US6372735B1
  申请人：——

  公开号：US6372735B1

  公开（公告）日：2002-04-16
• US7022860B2
  申请人：——

  公开号：US7022860B2

  公开（公告）日：2006-04-04