2,17-dioxo[3,3](4,4'-)biphenylophane | 1058140-98-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 2,17-dioxo[3,3](4,4'-)biphenylophane
• 英文别名: 2,17-dioxo[3,3](4,4')biphenylophane；Pentacyclo[18.2.2.22,5.29,12.213,16]triaconta-1(23),2(30),3,5(29),9,11,13(26),14,16(25),20(24),21,27-dodecaene-7,18-dione；pentacyclo[18.2.2.22,5.29,12.213,16]triaconta-1(23),2(30),3,5(29),9,11,13(26),14,16(25),20(24),21,27-dodecaene-7,18-dione
• CAS: 1058140-98-9
• 化学式: C₃₀H₂₄O₂
• 分子量: 416.519
• InChiKey: CKPIWOVKFWNHAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,17-dioxo[3,3](4,4'-)biphenylophane 在 一水合肼 、 二乙二醇 作用下， 反应 16.0h， 以90%的产率得到[3,3](4,4')biphenylophane
  参考文献：
  名称：

  Synthesis of a [3.3]biphenylophane, and its photophysical and photochemical properties studied by emission and transient absorption measurements

  摘要：

  [3.3](4,4')Biphenylophane (BPP) is synthesized, and the photophysical and photochemical properties are studied by means of emission and transient absorption measurements. BPP emits excimer fluorescence at 295 and 77 K, and phosphorescence from the locally-excited (LE) triplet state at 77 K. Based on the transient absorption spectra of BPP, it is found that the excimeric triplet state of BPP is produced along with the LE triplet at 295 and 77 K. The triplet excimer of BPP is shown to be formed via intersystem crossing from the singlet excimer state, and concluded to be non-phosphorescent. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.cplett.2008.06.066
• 作为产物：
  描述：

  对甲基苯磺酰甲基异腈 、 4,4'-二溴甲基联苯 在 四丁基碘化铵 、 sodium hydroxide 、 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 以1%的产率得到2,17-dioxo[3,3](4,4'-)biphenylophane
  参考文献：
  名称：

  Synthesis of a [3.3]biphenylophane, and its photophysical and photochemical properties studied by emission and transient absorption measurements

  摘要：

  [3.3](4,4')Biphenylophane (BPP) is synthesized, and the photophysical and photochemical properties are studied by means of emission and transient absorption measurements. BPP emits excimer fluorescence at 295 and 77 K, and phosphorescence from the locally-excited (LE) triplet state at 77 K. Based on the transient absorption spectra of BPP, it is found that the excimeric triplet state of BPP is produced along with the LE triplet at 295 and 77 K. The triplet excimer of BPP is shown to be formed via intersystem crossing from the singlet excimer state, and concluded to be non-phosphorescent. (c) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.cplett.2008.06.066

文献信息

• One-step synthesis of a cyclic 2,17-dioxo[3,3](4,4′) biphenylophane and first preparation of a microporous polymer network from a macrocyclic precursor by cyclotrimerization
  作者：Suman Kalyan Samanta、Eduard Preis、Christian W. Lehmann、Richard Goddard、Saientan Bag、Prabal K. Maiti、Gunther Brunklaus、Ullrich Scherf

  DOI：10.1039/c5cc01654a

  日期：——

  One-step synthesis of a cyclic 2,17-dioxo[3,3](4,4')biphenylo-phane (MC) was achieved in high yield; its structure was verified by single crystal X-ray analysis. As a first example, a microporous polymer network was...

  一步法合成了环状2,17-二氧代[3,3]（4,4'）联苯基-phane（MC）；通过单晶X射线分析验证了其结构。作为第一个例子，微孔聚合物网络是...