6-(2-ethoxycarbonylvinyl)-3,4-diphenyl-5-[(4-methylpiperazin-1-yl)-phenylamino-methyleneamino]thieno[2,3-c]pyridazine | 211569-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-(2-ethoxycarbonylvinyl)-3,4-diphenyl-5-[(4-methylpiperazin-1-yl)-phenylamino-methyleneamino]thieno[2,3-c]pyridazine
• 英文别名: ethyl (E)-3-[5-[[anilino-(4-methylpiperazin-1-yl)methylidene]amino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]prop-2-enoate
• CAS: 211569-46-9
• 化学式: C₃₅H₃₄N₆O₂S
• 分子量: 602.76
• InChiKey: OJSAUYMIWGHIHB-FMQUCBEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-(2-ethoxycarbonylvinyl)-3,4-diphenyl-5-[(4-methylpiperazin-1-yl)-phenylamino-methyleneamino]thieno[2,3-c]pyridazine 在 silica gel 作用下， 以 甲苯 为溶剂， 以98%的产率得到8-ethoxycarbonylmethyl-6-(4-methylpiperazino)-3,4,7-triphenyl-7,8-dinydropyrimido[4',5':4,5]thieno[2,3-c]pyridazine
  参考文献：
  名称：

  A novel synthesis of dihydropyrimidothienopyridazine derivatives

  摘要：

  Aza-Wittig reaction of iminophosphorane 3, derived from 5-amino-3,4-diphenylthieno[2,3-c]piridazine-6-carboxaldehyde (1), with isocyanates, followed by intramolecular hetero conjugate addition annulation after addition of an amine, gives the functionalized 7,8-dihydropyrimido[4',5':4,5]-thieno[2,3-c]piridazines 6 and 7. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00434-7
• 作为产物：
  描述：

  5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbaldehyde 在 六氯乙烷 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 62.5h， 生成 6-(2-ethoxycarbonylvinyl)-3,4-diphenyl-5-[(4-methylpiperazin-1-yl)-phenylamino-methyleneamino]thieno[2,3-c]pyridazine
  参考文献：
  名称：

  A novel synthesis of dihydropyrimidothienopyridazine derivatives

  摘要：

  Aza-Wittig reaction of iminophosphorane 3, derived from 5-amino-3,4-diphenylthieno[2,3-c]piridazine-6-carboxaldehyde (1), with isocyanates, followed by intramolecular hetero conjugate addition annulation after addition of an amine, gives the functionalized 7,8-dihydropyrimido[4',5':4,5]-thieno[2,3-c]piridazines 6 and 7. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00434-7

文献信息

• A novel synthesis of dihydropyrimidothienopyridazine derivatives
  作者：JoséM. Quintela、Rafael Alvarez-Sarandés、Carlos Peinador

  DOI：10.1016/s0040-4020(98)00434-7

  日期：1998.7

  Aza-Wittig reaction of iminophosphorane 3, derived from 5-amino-3,4-diphenylthieno[2,3-c]piridazine-6-carboxaldehyde (1), with isocyanates, followed by intramolecular hetero conjugate addition annulation after addition of an amine, gives the functionalized 7,8-dihydropyrimido[4',5':4,5]-thieno[2,3-c]piridazines 6 and 7. (C) 1998 Elsevier Science Ltd. All rights reserved.