tert-butyl N-[3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]propyl]-N-methylcarbamate | 791814-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: tert-butyl N-[3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]propyl]-N-methylcarbamate
• CAS: 791814-62-5
• 化学式: C₃₀H₄₁NO₇
• 分子量: 527.658
• InChiKey: UURGBCNTFUHQNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  75.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]propyl]-N-methylcarbamate 在 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 tert-butyl N-[3-[6-[2-(2-hydroxyethyl)phenyl]-4-methoxy-1,3-benzodioxol-5-yl]propyl]-N-methylcarbamate
  参考文献：
  名称：

  Synthesis of the Enantiomers of Hexahydrodibenz[d,f]azecines

  摘要：

  Suzuki coupling procedures were used to make appropriate 2-(3-aminopropyl)- 2'-(2-mesyloxy)ethyl disubstituted biphenyl derivatives 19 and 20 from which the racemic hexahydrodibenz[d,f]azecines 3 and 4 were produced following intramolecular mesyloxy displacement in dilute solution. The enantiomers of the former azecine were prepared by use of an analogue of the biphenyl aminomesylate 19 having a chiral auxiliary bound to the amino group during the closure of the 10-membered ring. Absolute configurations were assigned by X-ray diffraction analysis of compound 28.

  DOI：

  10.1021/jo049157q
• 作为产物：
  描述：

  4-甲氧基-6-溴-1,3-苯并二噁茂 在 镍 palladium diacetate 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 氢气 、 四氯化锡 、 碳酸氢钠 、 四已基碘化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 45.0h， 生成 tert-butyl N-[3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]propyl]-N-methylcarbamate
  参考文献：
  名称：

  Synthesis of the Enantiomers of Hexahydrodibenz[d,f]azecines

  摘要：

  Suzuki coupling procedures were used to make appropriate 2-(3-aminopropyl)- 2'-(2-mesyloxy)ethyl disubstituted biphenyl derivatives 19 and 20 from which the racemic hexahydrodibenz[d,f]azecines 3 and 4 were produced following intramolecular mesyloxy displacement in dilute solution. The enantiomers of the former azecine were prepared by use of an analogue of the biphenyl aminomesylate 19 having a chiral auxiliary bound to the amino group during the closure of the 10-membered ring. Absolute configurations were assigned by X-ray diffraction analysis of compound 28.

  DOI：

  10.1021/jo049157q