(4Z)-8-(4-chlorobutyryl)-3-ethyl-2,7,9-trimethyldipyrrin-1(10H)-one | 322760-07-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4Z)-8-(4-chlorobutyryl)-3-ethyl-2,7,9-trimethyldipyrrin-1(10H)-one
• 英文别名: (5Z)-5-[[4-(4-chlorobutanoyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one
• CAS: 322760-07-6
• 化学式: C₁₈H₂₃ClN₂O₂
• 分子量: 334.846
• InChiKey: AJXUBBWMXCBKER-DHDCSXOGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  62
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4Z)-8-(4-chlorobutyryl)-3-ethyl-2,7,9-trimethyldipyrrin-1(10H)-one 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以94%的产率得到(4Z)-8-(4-chlorobutyl)-3-ethyl-2,7,9-trimethyldipyrrin-1(10H)-one
  参考文献：
  名称：

  Efficient Routes to ω-Chloroalkyl Bilirubins and C12-N22 Bridged Biliverdins

  摘要：

  omega -Chloroalkyl biliverdins, prepared in three steps from 8-unsubstituted dipyrrinones in 70-80% overall yields, were reduced by sodium borohydride to provide the corresponding omega -chloroalkyl bilirubins in high yields. Upon treatment of the omega -chloroalkyl biliverdins with sodium hydroxide in ethanol, C12-N22 bridged biliverdins were obtained in high yields.

  DOI：

  10.1007/s007060170084
• 作为产物：
  描述：

  8-des-ethylkryptopyrromethenone 、 4-氯丁酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以91%的产率得到(4Z)-8-(4-chlorobutyryl)-3-ethyl-2,7,9-trimethyldipyrrin-1(10H)-one
  参考文献：
  名称：

  Efficient Routes to ω-Chloroalkyl Bilirubins and C12-N22 Bridged Biliverdins

  摘要：

  omega -Chloroalkyl biliverdins, prepared in three steps from 8-unsubstituted dipyrrinones in 70-80% overall yields, were reduced by sodium borohydride to provide the corresponding omega -chloroalkyl bilirubins in high yields. Upon treatment of the omega -chloroalkyl biliverdins with sodium hydroxide in ethanol, C12-N22 bridged biliverdins were obtained in high yields.

  DOI：

  10.1007/s007060170084

文献信息

• Efficient Routes to ω-Chloroalkyl Bilirubins and C12-N22 Bridged Biliverdins
  作者：Bin Tu、Qingqi Chen、Fang Yan、Jinshi Ma、Karl Grubmayr、Heinz Falk

  DOI：10.1007/s007060170084

  日期：2001.6

  omega -Chloroalkyl biliverdins, prepared in three steps from 8-unsubstituted dipyrrinones in 70-80% overall yields, were reduced by sodium borohydride to provide the corresponding omega -chloroalkyl bilirubins in high yields. Upon treatment of the omega -chloroalkyl biliverdins with sodium hydroxide in ethanol, C12-N22 bridged biliverdins were obtained in high yields.