(4Z,10Z,15Z)-8,12-bis-(2-chloroethyl)-3,17-diethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione | 367966-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: (4Z,10Z,15Z)-8,12-bis-(2-chloroethyl)-3,17-diethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione
• CAS: 367966-91-4
• 化学式: C₃₁H₃₆Cl₂N₄O₂
• 分子量: 567.558
• InChiKey: SWYCRYWUSIJDNV-SRVCBVSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.78
• 重原子数：
  39.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  86.35
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4Z,10Z,15Z)-8,12-bis-(2-chloroethyl)-3,17-diethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以93%的产率得到(4Z,15Z)-8,12-bis-(2-chloroethyl)-3,17-diethyl-2,7,13,18-tetramethylbiladiene-ac-(21H,24H)-1,19-dione
  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：

  (4Z)-8-chloroacetyl-3-ethyl-2,7,9-trimethyldipyrrin-1(10H)-one 在 sodium tetrahydroborate 、 三氟化硼乙醚 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (4Z,10Z,15Z)-8,12-bis-(2-chloroethyl)-3,17-diethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione
  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