N-dodecanoyl 5,6,11,12-tetrahydro-11,12-dibromodibenzo[b,f]azocine | 1408063-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: N-dodecanoyl 5,6,11,12-tetrahydro-11,12-dibromodibenzo[b,f]azocine
• CAS: 1408063-20-6
• 化学式: C₂₇H₃₅Br₂NO
• 分子量: 549.389
• InChiKey: XMJGEMIGWYLSRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.03
• 重原子数：
  31.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  N-dodecanoyl 5,6,11,12-tetrahydro-11,12-dibromodibenzo[b,f]azocine 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以89%的产率得到methyl 4-(11,12-didehydrodibenzo[b,f]azocin-5(6H)-yl)-4-oxobutanoate
  参考文献：
  名称：

  Strain-Promoted “Click” Modification of a Mesoporous Metal–Organic Framework

  摘要：

  Strain-promoted "click" chemistry is used to post synthetically modify the pore walls of azide-functionalized mesoporous bio-MOE-100 (N-3-bio-MOE-100). The reactions proceed in high yield and produce no byproduct. This new method was used to introduce various functional groups into the MOF mesopores, including succinimidyl ester bioconjugation moieties that allow for straightforward coupling of biomolecules to the pore walls.

  DOI：

  10.1021/ja307713q
• 作为产物：
  描述：

  N-dodecanoyl 5,6-dihydrodibenzo[b,f]azocine 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以92%的产率得到N-dodecanoyl 5,6,11,12-tetrahydro-11,12-dibromodibenzo[b,f]azocine
  参考文献：
  名称：

  Strain-Promoted “Click” Modification of a Mesoporous Metal–Organic Framework

  摘要：

  Strain-promoted "click" chemistry is used to post synthetically modify the pore walls of azide-functionalized mesoporous bio-MOE-100 (N-3-bio-MOE-100). The reactions proceed in high yield and produce no byproduct. This new method was used to introduce various functional groups into the MOF mesopores, including succinimidyl ester bioconjugation moieties that allow for straightforward coupling of biomolecules to the pore walls.

  DOI：

  10.1021/ja307713q