2-(2-Diethoxymethyl-4-dimethylamino-selenophen-3-ylmethylene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester | 204201-05-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(2-Diethoxymethyl-4-dimethylamino-selenophen-3-ylmethylene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester
• 英文别名: Dimethyl 2-[[2-(diethoxymethyl)-4-(dimethylamino)selenophen-3-yl]methylidene]-1,3-dithiole-4,5-dicarboxylate
• CAS: 204201-05-8
• 化学式: C₁₉H₂₅NO₆S₂Se
• 分子量: 506.503
• InChiKey: QQOKKGNNJMEXGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(2-Diethoxymethyl-4-dimethylamino-selenophen-3-ylmethylene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester 在 甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以65%的产率得到2-(4-Dimethylamino-2-formyl-selenophen-3-ylmethylene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Easy Synthesis of Substituted 1,3-Dithiole-2-ylidene Selenophenes from Selenoheterodienes.

  摘要：

  An original synthesis of substituted formyl selenophene heterocycles is described via selenoamide vinylogue from N-selenoacylamidines. The access of mono and his-substituted 1,3-dithiol-2-ylidene selenophenes, potential pi-conjugated precursors of selenafulvalene analogs, was achieved using Wittig olefination.

  DOI：

  10.1080/00397919808005723
• 作为产物：
  描述：

  4,4-乙氧基-2-丁基卡因-铝 在 正丁基锂 、 氧气 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 36.5h， 生成 2-(2-Diethoxymethyl-4-dimethylamino-selenophen-3-ylmethylene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Easy Synthesis of Substituted 1,3-Dithiole-2-ylidene Selenophenes from Selenoheterodienes.

  摘要：

  An original synthesis of substituted formyl selenophene heterocycles is described via selenoamide vinylogue from N-selenoacylamidines. The access of mono and his-substituted 1,3-dithiol-2-ylidene selenophenes, potential pi-conjugated precursors of selenafulvalene analogs, was achieved using Wittig olefination.

  DOI：

  10.1080/00397919808005723

文献信息

• Easy Synthesis of Substituted 1,3-Dithiole-2-ylidene Selenophenes from Selenoheterodienes.
  作者：Karine Heuzè、Franck Purseigle、Didier Dubreuil、Jean Paul Pradère

  DOI：10.1080/00397919808005723

  日期：1998.1

  An original synthesis of substituted formyl selenophene heterocycles is described via selenoamide vinylogue from N-selenoacylamidines. The access of mono and his-substituted 1,3-dithiol-2-ylidene selenophenes, potential pi-conjugated precursors of selenafulvalene analogs, was achieved using Wittig olefination.