5,11-Ditert-butyl-17-ethynyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene | 1097721-84-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5,11-Ditert-butyl-17-ethynyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• 英文别名: 5,11-ditert-butyl-17-ethynyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• CAS: 1097721-84-0
• 化学式: C₃₇H₄₃N
• 分子量: 501.755
• InChiKey: VAMXOYFFPYFGBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-6,10-diiodo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[1,9]quinolizino-[3,4,5,6,7-defg]acridine 、 5,11-Ditert-butyl-17-ethynyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以40%的产率得到10,10'-((10-bromo-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine-2,6-diyl)bis(ethyne-2,1-diyl))bis(2,6-di-tert-butyl-4,4,8,8,12,12-hexamethyl-8,12-dihydro-4H-benzo[9,1]quinolizino[3,4,5,6,7-defg]acridine)
  参考文献：
  名称：

  Bridged Triphenylamine-Based Dendrimers: Tuning Enhanced Two-Photon Absorption Performance with Locked Molecular Planarity

  摘要：

  Triphenylamine derivatives bridged by methylene units afford a near planar molecular platform In a series of one dimer and two oligomers exhibiting Increased structural rigidity compared to that of their parent triphenylamines. This series of dendrimers show significantly enhanced two-photon absorptions that are up to 3-fold that of triphenylamines with similar molecular size and structure.

  DOI：

  10.1021/ol801238n
• 作为产物：
  描述：

  在 水 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 以98%的产率得到5,11-Ditert-butyl-17-ethynyl-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
  参考文献：
  名称：

  Bridged Triphenylamine-Based Dendrimers: Tuning Enhanced Two-Photon Absorption Performance with Locked Molecular Planarity

  摘要：

  Triphenylamine derivatives bridged by methylene units afford a near planar molecular platform In a series of one dimer and two oligomers exhibiting Increased structural rigidity compared to that of their parent triphenylamines. This series of dendrimers show significantly enhanced two-photon absorptions that are up to 3-fold that of triphenylamines with similar molecular size and structure.

  DOI：

  10.1021/ol801238n

文献信息

• Bridged Triphenylamine-Based Dendrimers: Tuning Enhanced Two-Photon Absorption Performance with Locked Molecular Planarity
  作者：Zhen Fang、Tang-Lin Teo、Liping Cai、Yee-Hing Lai、Anna Samoc、Marek Samoc

  DOI：10.1021/ol801238n

  日期：2009.1.1

  Triphenylamine derivatives bridged by methylene units afford a near planar molecular platform In a series of one dimer and two oligomers exhibiting Increased structural rigidity compared to that of their parent triphenylamines. This series of dendrimers show significantly enhanced two-photon absorptions that are up to 3-fold that of triphenylamines with similar molecular size and structure.