Tamoxifen-d3

• 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: Tamoxifen-d3
• 英文别名: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methyl-N-(trideuteriomethyl)ethanamine
• 化学式: C₂₆H₂₉NO
• 分子量: 374.499
• InChiKey: NKANXQFJJICGDU-CMRZAJPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲醛-d2 、 N-去甲他莫昔芬盐酸盐 在 甲酸-d2 作用下， 以 二甲基亚砜 为溶剂， 生成 Tamoxifen-d3
  参考文献：
  名称：

  Development of a microwave-enhanced isotopic labelling procedure based on the Eschweiler–Clarke methylation reaction

  摘要：

  A number of primary and secondary amines have been rapidly methylated under microwave-enhanced conditions using formic acid-formaldehyde mixtures, providing a route to H-2(D)-containing compounds and the potential for H-3(T), C-11, C-13 and C-14 labelling. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02455-3

文献信息

• Development of a microwave-enhanced isotopic labelling procedure based on the Eschweiler–Clarke methylation reaction
  作者：John R. Harding、John R. Jones、Shui-Yu Lu、Robin Wood

  DOI：10.1016/s0040-4039(02)02455-3

  日期：2002.12

  A number of primary and secondary amines have been rapidly methylated under microwave-enhanced conditions using formic acid-formaldehyde mixtures, providing a route to H-2(D)-containing compounds and the potential for H-3(T), C-11, C-13 and C-14 labelling. (C) 2002 Elsevier Science Ltd. All rights reserved.