dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: SZGBUEBHUQQAQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 反应 3.0h， 以83%的产率得到dimethyl 3-ethenylbenzene-1,2-dicarboxylate
  参考文献：
  名称：

  Brown, Roger F. C.; Choi, Neil; Eastwood, Frank W., Australian Journal of Chemistry, 1995, vol. 48, # 2, p. 185 - 198

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3,5-已三烯 、 丁炔二酸 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 生成 dimethyl 3-ethenylcyclohexa-1,4-diene-1,2-dicarboxylate
  参考文献：
  名称：

  Methylene amine substituted arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  A novel series of arylindenopyrimidines were identified as A(2A) and A(1) receptor antagonists. The series was optimized for in vitro activity by substituting the 8- and 9-positions with methylene amine substituents. The compounds show excellent activity in mouse models of Parkinson's disease when dosed orally. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.042

文献信息

• Brown, Roger F. C.; Choi, Neil; Eastwood, Frank W., Australian Journal of Chemistry, 1995, vol. 48, # 2, p. 185 - 198
  作者：Brown, Roger F. C.、Choi, Neil、Eastwood, Frank W.

  DOI：——

  日期：——
• Methylene amine substituted arylindenopyrimidines as potent adenosine A2A/A1 antagonists
  作者：Brian C. Shook、Stefanie Rassnick、Daniel Hall、Kenneth C. Rupert、Geoffrey R. Heintzelman、Kristen Hansen、Devraj Chakravarty、James L. Bullington、Robert H. Scannevin、Brian Magliaro、Lori Westover、Karen Carroll、Lisa Lampron、Ronald Russell、Shawn Branum、Kenneth Wells、Sandra Damon、Scott Youells、Xun Li、Mel Osbourne、Keith Demarest、Yuting Tang、Kenneth Rhodes、Paul F. Jackson

  DOI：10.1016/j.bmcl.2010.03.042

  日期：2010.5

  A novel series of arylindenopyrimidines were identified as A(2A) and A(1) receptor antagonists. The series was optimized for in vitro activity by substituting the 8- and 9-positions with methylene amine substituents. The compounds show excellent activity in mouse models of Parkinson's disease when dosed orally. (C) 2010 Elsevier Ltd. All rights reserved.