Tetradecanoic acid 4-[4-(2-dimethylamino-ethoxy)-phenyl]-3-hydroxy-4-(4-methoxymethoxy-phenyl)-3-phenyl-1-tetradecanoyloxymethyl-butyl ester | 286454-80-6

• 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: Tetradecanoic acid 4-[4-(2-dimethylamino-ethoxy)-phenyl]-3-hydroxy-4-(4-methoxymethoxy-phenyl)-3-phenyl-1-tetradecanoyloxymethyl-butyl ester
• 英文别名: [5-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-hydroxy-5-[4-(methoxymethoxy)phenyl]-4-phenyl-2-tetradecanoyloxypentyl] tetradecanoate；[5-[4-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-5-[4-(methoxymethoxy)phenyl]-4-phenyl-2-tetradecanoyloxypentyl] tetradecanoate
• CAS: 286454-80-6
• 化学式: C₅₇H₈₉NO₈
• 分子量: 916.336
• InChiKey: PTVSLWHJMLBJTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.9
• 重原子数：
  66
• 可旋转键数：
  42
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Tetradecanoic acid 4-[4-(2-dimethylamino-ethoxy)-phenyl]-3-hydroxy-4-(4-methoxymethoxy-phenyl)-3-phenyl-1-tetradecanoyloxymethyl-butyl ester 在 氯化亚砜 作用下， 以 吡啶 为溶剂， 反应 3.0h， 生成 Tetradecanoic acid (E)-4-[4-(2-dimethylamino-ethoxy)-phenyl]-4-(4-methoxymethoxy-phenyl)-3-phenyl-1-tetradecanoyloxymethyl-but-3-enyl ester
  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：

  反式-4-羟基芪 在 copper(l) iodide 4-二甲氨基吡啶 、 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 四氧化锇 、 N-甲基吲哚酮 、 草酰氯 、 水 、 二甲基亚砜 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 49.0h， 生成 Tetradecanoic acid 4-[4-(2-dimethylamino-ethoxy)-phenyl]-3-hydroxy-4-(4-methoxymethoxy-phenyl)-3-phenyl-1-tetradecanoyloxymethyl-butyl ester
  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.