10,15-dihydro-2,7,12-tribromo-3,8,13-trimethoxy-5H-tribenzocyclononene | 137432-38-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 10,15-dihydro-2,7,12-tribromo-3,8,13-trimethoxy-5H-tribenzocyclononene
• 英文别名: tribromocyclotriveratrylene；10,15-dihydro-2,7,12-tribromo-3,8,13-trimethoxy-5H-tribenzo[a,d,g]cyclononene；5,12,19-Tribromo-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
• CAS: 137432-38-3
• 化学式: C₂₄H₂₁Br₃O₃
• 分子量: 597.141
• InChiKey: JEWSZRLKMLIMHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  10,15-dihydro-2,7,12-tribromo-3,8,13-trimethoxy-5H-tribenzocyclononene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以91%的产率得到2,7,12-trihydroxy-3,8,13-triphenyl-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene
  参考文献：
  名称：

  具有硬腔和深腔 的C 3对称空泡的合成，结构，富勒烯结合和拆分†

  摘要：

  一种有效的钯催化的Suzuki-Miyaura偶联方法，涉及在CTV-Br 3与多种芳基和杂芳基硼酸之间存在的CTV-Br 3反应吲哚基膦配体已经开发出来。该反应过程首次提供了一系列的C 3-对称的芳基-延伸的刚性空洞体。X射线晶体结构分析表明，被苯基取代的空泡石5a具有更大的边缘和空洞高度。该大环主体在晶体状态下采用线性的从头到尾的“握手”自包含结构。根据乔布氏图，加入C 60时，5a的荧光被显着淬灭，其结合常数为78 700±2300 dm 3 mol -1，化学计量比为1：1。C 60与5a的相互作用兴奋状态下的CPS比CTV的要强，这可以归因于5a延伸臂中更多的结合位点。此外，通过化学拆分容易高效地获得旋光的C 3对称的空洞体（+）-和（-）- 6。

  DOI：

  10.1039/c1ob06465g
• 作为产物：
  描述：

  3-羟基-4-溴苯甲酸 在 四磷十氧化物 作用下， 生成 10,15-dihydro-2,7,12-tribromo-3,8,13-trimethoxy-5H-tribenzocyclononene
  参考文献：
  名称：

  Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes

  摘要：

  对cryptophane-111进行边缘官能化会缩小笼子可实现的构象范围，从而产生前所未有的拥挤的Xe@cryptophane复合物。

  DOI：

  10.1039/c4cc08001g

文献信息

• The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene
  作者：Adam D. Martin、Timothy L. Easun、Stephen P. Argent、William Lewis、Alexander J. Blake、Martin Schröder

  DOI：10.1039/c6ce01965j

  日期：——

  Two cyclotriveratrylene-based ligands H3L1 and H3L2 have been synthesised using microwave heating and used in the formation of 1 [Zn2(L1)(DMA)2(CH3COO)] and 2 [Zn6(L2)4(DMA)6(H2O)5] (DMA = N,N-dimethylacetamide). 1 displays an unusual trigonal paddlewheel node geometry, while Zn(II) paddlewheels are observed in 2. However, the stacking of CTV molecules in 1 is replaced by an uncommon molecular capsule

  已经使用微波加热合成了两个基于三环戊四烯的配体H 3 L 1和H 3 L 2，它们用于形成1 [Zn 2（L 1）（DMA）2（CH 3 COO）]和2 [Zn 6（L 2）4（DMA）6（H 2 O）5 ]（DMA ＝N，N-二甲基乙酰胺）。1显示不寻常的三角桨轮节点几何，而Zn（II）在2中可以看到桨轮。但是，CTV分子在1中的堆叠被2中不常见的分子胶囊结构所取代。
• OLEFIN POLYMERIZATION CATALYST COMPRISING CYCLOTRIVERATRYLENE AND DERIVATIVES THEREOF
  申请人：China Petroleum & Chemical Corporation

  公开号：EP3656754A1

  公开（公告）日：2020-05-27

  The present invention discloses a Ziegler-Natta catalyst system for olefin polymerization, comprising at least one compound represented by formula (I) as (i) an internal electron donor, (ii) an external electron donor, or (iii) the both, wherein M1, M2, M3, M4, M5, M6, M1', M2', M3', M4', M5' and M6' are each independently selected from the group consisting of hydrogen, hydroxy, amino, aldehyde group, carboxy, acyl, halogen atoms, -R1 and -OR2, wherein R1 and R2 are each independently a C1-C10 hydrocarbyl, which is unsubstituted or substituted by a substituent selected from the group consisting of hydroxy, amino, aldehyde group, carboxy, acyl, halogen atoms, C1-C10 alkoxy and heteroatoms; and wherein, when among M1-M6 and M1'-M6', any two adjacent groups on the same phenyl ring are each independently selected from the group consisting of R1 and -OR2, the two adjacent groups may optionally be linked to form a ring, with a proviso that M1, M2, M3, M4, M5, M6, M1', M2', M3', M4', M5' and M6' are not simultaneously hydrogen.

  本发明公开了一种用于烯烃聚合的齐格勒-纳塔催化剂体系，该催化剂体系包括至少一种由式(I)表示的化合物作为(i)内部电子供体，(ii)外部电子供体，或(iii)两者，其中M1、M2、M3、M4、M5、M6、M1'、M2'、M3'、M4'、M5'和M6'各自独立地选自氢、羟基、氨基、醛基、羧基、酰基、卤原子、-R1和-OR2组成的组、羟基、氨基、醛基、羧基、酰基、卤素原子、-R1 和 -OR2，其中 R1 和 R2 各自独立地为 C1-C10 碳氢基，该碳氢基未被取代或被选自羟基、氨基、醛基、羧基、酰基、卤素原子、C1-C10 烷氧基和杂原子组成的组的取代基取代；其中，当M1-M6和M1'-M6'中，同一苯环上的任意两个相邻基团各自独立地选自R1和-OR2组成的组时，这两个相邻基团可任选连接形成一个环，但M1、M2、M3、M4、M5、M6、M1'、M2'、M3'、M4'、M5'和M6'不能同时为氢。
• Olefin polymerization catalyst comprising cyclotriveratrylene and derivatives thereof
  申请人：CHINA PETROLEUM & CHEMICAL CORPORATION

  公开号：US11401356B2

  公开（公告）日：2022-08-02

  The present invention discloses a Ziegler-Natta catalyst system for olefin polymerization, comprising at least one compound represented by formula (I) as (i) an internal electron donor, (ii) an external electron donor, or (iii) the both, wherein M1, M2, M3, M4, M5, M6, M1′, M2′, M3′, M4′, M5′ and M6′ are each independently selected from the group consisting of hydrogen, hydroxy, amino, aldehyde group, carboxy, acyl, halogen atoms, —R1 and —OR2, wherein R1 and R2 are each independently a C1-C10 hydrocarbyl, which is unsubstituted or substituted by a substituent selected from the group consisting of hydroxy, amino, aldehyde group, carboxy, acyl, halogen atoms, C1-C10 alkoxy and heteroatoms; and wherein, when among M1-M6 and M1′-M6′, any two adjacent groups on the same phenyl ring are each independently selected from the group consisting of R1 and —OR2, the two adjacent groups may optionally be linked to form a ring, with a proviso that M1, M2, M3, M4, M5, M6, M1′, M2′, M3′, M4′, M5′ and M6′ are not simultaneously hydrogen.

  本发明公开了一种用于烯烃聚合的齐格勒-纳塔催化剂体系，它包括至少一种由式(I)代表的化合物作为(i)内部电子供体、(ii)外部电子供体，或(iii)两者，其中 M1、M2、M3、M4、M5、M6、M1′、M2′、M3′、M4′、M5′和 M6′各自独立地选自氢组成的组、羟基、氨基、醛基、羧基、酰基、卤素原子、-R1 和 -OR2，其中 R1 和 R2 各自独立地为 C1-C10 碳氢基，该碳氢基未被取代或被选自羟基、氨基、醛基、羧基、酰基、卤素原子、C1-C10 烷氧基和杂原子的取代基取代；其中，当在 M1-M6 和 M1′-M6′ 之间时，同一苯环上的任何两个相邻基团各自独立地选 自由 R1 和 -OR2 组成的组、这两个相邻基团可任选连接形成一个环，但 M1、M2、M3、M4、M5、M6、M1′、M2′、M3′、M4′、M5′和 M6′不能同时为氢。
• Host-guest complexation. 60. Rigidly hollow hosts that encapsulate small molecules
  作者：Martin E. Tanner、Carolyn B. Knobler、Donald J. Cram

  DOI：10.1021/jo00027a011

  日期：1992.1

  New chiral host systems 1 and 2 possessing C3 symmetry have been designed and synthesized. Molecular models of 1 and 2 indicate they contain small enforced cavities and three portals complementary to small molecules. The crystal structure of 1.2CH3CN shows one molecule of CH3CN is encapsulated and the second exists as a solvate. A crystal structure of 2.2CH3OH shows one CH3OH molecule is encapsulated and a second serves as a solvate. A crystal structure of 2.CH2Cl2 shows the host to be empty and that the CH2Cl2 acts as a solvate to provide (by disorder) a C3 pattern about the C3 axis of the host. In CDCl3 solutions (CDCl3 is too large to occupy its cavity), 1 complexed O2, N2, H2O, and CO2 readily and reversibly (H-1 NMR spectra), particularly at low temperatures. In CDCl3 solution, 1 binds CH3OH with K(a) = 10 M-1, DELTA-G-degrees 295 = -1.4 kcal mol-1, DELTA-H congruent-to -6.6 kcal mol-1, and DELTA-S congruent-to -18 cal mol-1 K-1. It also binds CH3CN, but much more weakly. Triamine 2 in CDCl3 binds O2, N2, and H2O weakly and CH3OH with a K(a) = 47 M-1, DELTA-G-degrees 295 = -2.3 kcal mol-1, DELTA-H congruent-to -8.5 kcal mol-1, and DELTA-S congruent-to -21 cal mol-1 K-1. This host binds CH3CN at 295 K with a K(a) in the range of 1-10 M-1, and CH3CH2OH with a K(a) < 5 M-1. The H-1 NMR signals of the guest's CH2 group of 2.CH3CH2OH indicate the protons to be diastereotopic. The half-life for decomplexation of 2.CH3CH2OH was about 40 min at 25-degrees-C.
• Creation of Novel Chiral Cryptophanes by a Self-Assembling Method Utilizing a Pyridyl−Pd(II) Interaction
  作者：Zhenlin Zhong、Atsushi Ikeda、Seiji Shinkai、Shigeru Sakamoto、Kentaro Yamaguchi

  DOI：10.1021/ol0157205

  日期：2001.4.1

  [GRAPHICS]This Letter demonstrates the molecular design of novel self-assembled chiral cryptophanes. Mediated by square-planar Pd(II) complexes, racemic pyridyl cyclotriveratrylene derivative rac-2 self-assembles into mixtures of racemic chiral cryptophanes and meso cryptophanes (1), which interconvert with each other, and the rates are remarkably enhanced by the addition of a slight excess of rac-2, On the other hand, optically resolved P-2 or M-2 self-assembles into the chiral cryptophane as the only product.