diethyl 3,5-di[(triphenylphosphoranylidene)amino]dithieno[3',2'-e:2,3-b]pyridine-2,6-dicarboxylate | 654664-81-0

• 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: diethyl 3,5-di[(triphenylphosphoranylidene)amino]dithieno[3',2'-e:2,3-b]pyridine-2,6-dicarboxylate
• 英文别名: Diethyl 6,10-bis[(triphenyl-lambda5-phosphanylidene)amino]-4,12-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene-5,11-dicarboxylate；diethyl 6,10-bis[(triphenyl-λ5-phosphanylidene)amino]-4,12-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene-5,11-dicarboxylate
• CAS: 654664-81-0
• 化学式: C₅₁H₄₁N₃O₄P₂S₂
• 分子量: 885.984
• InChiKey: QKJXNOAUOBIRIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  62
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  diethyl 3,5-di[(triphenylphosphoranylidene)amino]dithieno[3',2'-e:2,3-b]pyridine-2,6-dicarboxylate 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 diethyl 3,5-bis[anilino(diethylamino)methyleneamino]dithieno[3',2'-e:2,3-b]pyridine-2,6-dicarboxylate
  参考文献：
  名称：

  Synthesis of pyrido and pyrazinodithienodipyrimidine-4,8(3H,9H)-dione derivatives by the aza-Wittig methodology

  摘要：

  A one-pot synthesis of the hitherto unreported pyrido[5",6":4,5;3"2":4',5']dithieno[3,2-d:3',2'-d]dipyrimidine-4,8(3H,9H)-dione 6a-o and pyrazino[5",6":4,5;3"2":4',5']dithieno[3,2-d:3',2'-d]dipyrimidine-4,8(3H,9H)-dione 6p-y pentaheterocyclic systems, based on the tandem aza-Wittig heterocumulene-mediated annulation strategy is described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.11.021
• 作为产物：
  描述：

  2,6-二氯吡啶-3,5-二甲腈 在 六氯乙烷 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 49.0h， 生成 diethyl 3,5-di[(triphenylphosphoranylidene)amino]dithieno[3',2'-e:2,3-b]pyridine-2,6-dicarboxylate
  参考文献：
  名称：

  Synthesis of pyrido and pyrazinodithienodipyrimidine-4,8(3H,9H)-dione derivatives by the aza-Wittig methodology

  摘要：

  A one-pot synthesis of the hitherto unreported pyrido[5",6":4,5;3"2":4',5']dithieno[3,2-d:3',2'-d]dipyrimidine-4,8(3H,9H)-dione 6a-o and pyrazino[5",6":4,5;3"2":4',5']dithieno[3,2-d:3',2'-d]dipyrimidine-4,8(3H,9H)-dione 6p-y pentaheterocyclic systems, based on the tandem aza-Wittig heterocumulene-mediated annulation strategy is described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.11.021

文献信息

• Synthesis of pyrido and pyrazinodithienodipyrimidine-4,8(3H,9H)-dione derivatives by the aza-Wittig methodology
  作者：David VázquezVilarelle、Carlos PeinadorVeira、José M Quintela López

  DOI：10.1016/j.tet.2003.11.021

  日期：2004.1

  A one-pot synthesis of the hitherto unreported pyrido[5",6":4,5;3"2":4',5']dithieno[3,2-d:3',2'-d]dipyrimidine-4,8(3H,9H)-dione 6a-o and pyrazino[5",6":4,5;3"2":4',5']dithieno[3,2-d:3',2'-d]dipyrimidine-4,8(3H,9H)-dione 6p-y pentaheterocyclic systems, based on the tandem aza-Wittig heterocumulene-mediated annulation strategy is described. (C) 2003 Elsevier Ltd. All rights reserved.