(S)-2-((R)-(2-methoxyphenoxy)(5-iodothiophen-2-yl)methyl)morpholine | 918656-86-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-2-((R)-(2-methoxyphenoxy)(5-iodothiophen-2-yl)methyl)morpholine
• 英文别名: (2S)-2-[(R)-(5-iodothiophen-2-yl)-(2-methoxyphenoxy)methyl]morpholine
• CAS: 918656-86-7
• 化学式: C₁₆H₁₈INO₃S
• 分子量: 431.294
• InChiKey: TUMPGFWCYJFORL-XJKSGUPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (R)-2-[(S)-(5-Iodo-thiophen-2-yl)-(2-methoxy-phenoxy)-methyl]-morpholine-4-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到(S)-2-((R)-(2-methoxyphenoxy)(5-iodothiophen-2-yl)methyl)morpholine
  参考文献：
  名称：

  Development of SPECT imaging agents for the norepinephrine transporters: [123I]INER

  摘要：

  A series of reboxetine analogs was synthesized and evaluated for in vitro binding as racemic mixtures. The best candidate (INER) was synthesized as the optically pure (S,S) enantiomer, labeled with iodine-123 and its in vivo binding determined by SPECT imaging in baboons. The in vivo specificity, selectivity, and kinetics of [I-123]INER make it a promising agent for imaging NET in vivo by noninvasive SPECT imaging. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.018