[5-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-hydroxy-4,5-diphenyl-2-tetradecanoyloxypentyl] tetradecanoate | 286454-79-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: [5-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-hydroxy-4,5-diphenyl-2-tetradecanoyloxypentyl] tetradecanoate
• CAS: 286454-79-3
• 化学式: C₅₅H₈₅NO₆
• 分子量: 856.283
• InChiKey: MAUOUMPMEQYEQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17
• 重原子数：
  62
• 可旋转键数：
  39
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  85.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [5-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-hydroxy-4,5-diphenyl-2-tetradecanoyloxypentyl] tetradecanoate 在 氯化亚砜 作用下， 以 吡啶 为溶剂， 反应 3.0h， 以70%的产率得到[5-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-diphenyl-2-tetradecanoyloxypent-4-enyl] tetradecanoate
  参考文献：
  名称：

  Synthesis of lipidic tamoxifen

  摘要：

  We describe a general method for elaboration of the ethyl sidechain of tamoxifen and its primary 4-hydroxy metabolite. Novel lipidic tamoxifen and a functionalized B-ring analog were synthesized from a common stilbene oxide intermediate for potential liposomal applications including estrogen receptor targeting. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00421-4
• 作为产物：
  描述：

  2-(4-(2-(dimethylamino)ethoxy)phenyl)-1,2-diphenylethan-1-one 在 4-二甲氨基吡啶 、 四氧化锇 、 N-甲基吲哚酮 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 24.0h， 生成 [5-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-hydroxy-4,5-diphenyl-2-tetradecanoyloxypentyl] tetradecanoate
  参考文献：
  名称：

  Synthesis of lipidic tamoxifen

  摘要：

  We describe a general method for elaboration of the ethyl sidechain of tamoxifen and its primary 4-hydroxy metabolite. Novel lipidic tamoxifen and a functionalized B-ring analog were synthesized from a common stilbene oxide intermediate for potential liposomal applications including estrogen receptor targeting. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00421-4

文献信息

• Synthesis of lipidic tamoxifen
  作者：Matthew R Lashley、Michael H Nantz

  DOI：10.1016/s0040-4039(00)00421-4

  日期：2000.4

  We describe a general method for elaboration of the ethyl sidechain of tamoxifen and its primary 4-hydroxy metabolite. Novel lipidic tamoxifen and a functionalized B-ring analog were synthesized from a common stilbene oxide intermediate for potential liposomal applications including estrogen receptor targeting. (C) 2000 Elsevier Science Ltd. All rights reserved.