2,7,12-triethoxy-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene | 78729-77-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,7,12-triethoxy-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene
• 英文别名: 2,7,12-Triaethoxy-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononen；5,12,19-Triethoxy-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene；5,12,19-triethoxy-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
• CAS: 78729-77-8；94595-47-8；123805-88-9
• 化学式: C₃₀H₃₆O₆
• 分子量: 492.612
• InChiKey: KHVXNIFNZHFJLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-乙氧基-3-甲氧基苯甲醇 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以48%的产率得到2,7,12-triethoxy-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene
  参考文献：
  名称：

  Improved Synthesis of Functional CTVs and Cryptophanes Using Sc(OTf)₃ as Catalyst

  摘要：

  Functional cyclotriveratrylene (CTV) and cryptophane derivatives are synthesized in the presence of scandium triflate [Sc(OTf)(3)]. This route allows the preparation of new derivatives that could not be prepared or easily obtained by using the previously reported experimental procedures. With a catalytic amount of scandium triflate (1% mol), CTVs were obtained with yields similar to or higher than those reported previously in reactions run under strong acidic conditions. Cryptophanes were also synthesized in fairly good yields by performing the ring-closure step in the presence of a stoichiometric amount of Sc(OTf)(3). Interestingly, this novel approach strongly reduces the formation of side products and gives rise to novel functionalized molecules for the construction of supramolecular host-guest systems.

  DOI：

  10.1021/jo050495g

文献信息

• Synthesis and absolute configuration of chiral (C₃) cyclotriveratrylene derivatives. Crystal structure of (M)-(–)-2,7,12-triethoxy-3,8,13-tris-[(R)-1-methoxycarbonylethoxy]-10,15-dihydro-5H-tribenzo[a,d,g]-cyclononene
  作者：André Collet、Jacqueline Gabard、Jean Jacques、Michèle Cesario、Jean Guilhem、Claudine Pascard

  DOI：10.1039/p19810001630

  日期：——

  p. 127 °C, [α]D25–16.1°(CHCl3). The crystal and molecular structure of (–)-(3) have been determined by single crystal X-ray analysis: orthorhombic, a= 23.428, b= 22.165, c= 15.145 Å space group P212121, Z= 8. The M absolute configuration has been ascribed to (–)-(3), on the basis of internal comparison with groups –CH(Me)CO2Me whose absolute stereochemistry is derived from that of (+)-(5b). Seven chiral

  如下明确地确定了手性C 3-环三偏戊二烯衍生物的绝对构型。首先，通过化学相关性和圆二色性测定，将2-（2-乙氧基-4-羟甲基苯氧基）丙酸（5b）的绝对构型确定为R -（+）。经高氯酸处理后，化合物（+）-（5b）生成标题化合物（-）-（3），以14％的产率分离，熔点为127°C，[α] D 25 –16.1°（CHCl 3） 。（–）-（3）的晶体和分子结构已通过单晶X射线分析确定：正交晶体，a = 23.428，b = 22.165，c = 15.145Å空间群P 2 1 2 1 2 1，Z =8。根据与–CH（Me）CO 2 Me族的内部比较，M的绝对构型归因于（–）-（3）。 （+）-（5b）的值。七个手性C 3-环三藜芦烯衍生物已与（M）-（-）-（3）化学相关。这样建立的绝对构型与从圆二色性光谱的激子分析中独立推导的构型相同。
• 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。
• 316. The structure of cyclotriveratrylene (10,15-dihydro-2,3,7,8,12,13-hexamethoxy-5H-tribenzo[a,d,g]cyclononene) and related compounds
  作者：A. S. Lindsey

  DOI：10.1039/jr9650001685

  日期：——
• Arcoleo; Garofano, Annali di Chimica, 1957, vol. 47, p. 1142,1161
  作者：Arcoleo、Garofano

  DOI：——

  日期：——