(Z)-3-[1-(3,8-difluoro-6H-dibenzo[b,e]oxepin-11-ylidene)-ethyl]-nitrobenzene | 886862-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: (Z)-3-[1-(3,8-difluoro-6H-dibenzo[b,e]oxepin-11-ylidene)-ethyl]-nitrobenzene
• 英文别名: (11Z)-3,8-difluoro-11-[1-(3-nitrophenyl)ethylidene]-6H-benzo[c][1]benzoxepine
• CAS: 886862-15-3
• 化学式: C₂₂H₁₅F₂NO₃
• 分子量: 379.363
• InChiKey: KFMOQLDGRULMIX-XKZIYDEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (Z)-3-[1-(3,8-difluoro-6H-dibenzo[b,e]oxepin-11-ylidene)-ethyl]-nitrobenzene 生成 N-[3-[(1Z)-1-(3,8-difluoro-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]phenyl]methanesulfonamide
  参考文献：
  名称：

  Cyclocarbopalladation of Alkynes:  A Stereoselective Method for Preparing Dibenzoxapine Containing Tetrasubstituted Exocyclic Alkenes

  摘要：

  A palladium-catalyzed cascade carbometalation-cross coupling of alkyne route was developed for the preparation of tetrasubstituted exocyclic alkenes with high stereo- and regiocontrol. The effectiveness of this novel methodology was demonstrated by the synthesis of a number of dibenzoxapines in sufficient quantities to support their further development.

  DOI：

  10.1021/ol060289a
• 作为产物：
  描述：

  5-fluoro-2-(prop-1-ynyl)benzyl alcohol 在 palladium diacetate 偶氮二甲酸二异丙酯 、 sodium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 生成 (Z)-3-[1-(3,8-difluoro-6H-dibenzo[b,e]oxepin-11-ylidene)-ethyl]-nitrobenzene
  参考文献：
  名称：

  Cyclocarbopalladation of Alkynes:  A Stereoselective Method for Preparing Dibenzoxapine Containing Tetrasubstituted Exocyclic Alkenes

  摘要：

  A palladium-catalyzed cascade carbometalation-cross coupling of alkyne route was developed for the preparation of tetrasubstituted exocyclic alkenes with high stereo- and regiocontrol. The effectiveness of this novel methodology was demonstrated by the synthesis of a number of dibenzoxapines in sufficient quantities to support their further development.

  DOI：

  10.1021/ol060289a

文献信息

• Cyclocarbopalladation of Alkynes:  A Stereoselective Method for Preparing Dibenzoxapine Containing Tetrasubstituted Exocyclic Alkenes
  作者：Hannah Yu、Rachel N. Richey、Matthew W. Carson、Michael J. Coghlan

  DOI：10.1021/ol060289a

  日期：2006.4.1

  A palladium-catalyzed cascade carbometalation-cross coupling of alkyne route was developed for the preparation of tetrasubstituted exocyclic alkenes with high stereo- and regiocontrol. The effectiveness of this novel methodology was demonstrated by the synthesis of a number of dibenzoxapines in sufficient quantities to support their further development.