(4Z,10Z,15Z)-12-(2-chloroethyl)-3,8,17-triethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione | 367967-00-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (4Z,10Z,15Z)-12-(2-chloroethyl)-3,8,17-triethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione
• CAS: 367967-00-8
• 化学式: C₃₁H₃₇ClN₄O₂
• 分子量: 533.113
• InChiKey: CAUZLWABXPEVMU-KWGYMTRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.56
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 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)-12-(2-chloroethyl)-3,8,17-triethyl-2,7,13,18-tetramethylbilin-(21H,22H,24H)-1,19-dione 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以90%的产率得到(4Z,10E,15Z)-12,22-ethano-2,7,13,18-tetramethyl-3,8,17-triethylbilin-(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
• 作为产物：
  描述：

  8-des-ethylkryptopyrromethenone 在 sodium tetrahydroborate 、 三氯化铝 、 三氟化硼乙醚 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 (4Z,10Z,15Z)-12-(2-chloroethyl)-3,8,17-triethyl-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