1,2,3,4,5,6,7-(heptamethoxycarbonyl)cyclohepta-2,4,6-trien-1-yl potassium | 1082204-95-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,2,3,4,5,6,7-(heptamethoxycarbonyl)cyclohepta-2,4,6-trien-1-yl potassium
• 英文别名: 1,2,3,4,5,6,7-heptamethoxycarbonylcyclohepta-1,3,5-trien-7-yl potassium；1,2,3,4,5,6,7-hepta(methoxycarbonyl)cycloheptatrienyl potassium；hepta(methoxycarbonyl)cyclohepta-2,4,6-trien-1-yl potassium；potassium hepta(methoxycarbonyl)cycloheptatrienide
• CAS: 1082204-95-2
• 化学式: C₂₁H₂₁O₁₄*K
• 分子量: 536.488
• InChiKey: SRUAHRZOCFVSOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.32
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  184.1
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6,7-(heptamethoxycarbonyl)cyclohepta-2,4,6-trien-1-yl potassium 在 溴 作用下， 以 乙腈 为溶剂， 反应 0.17h， 以98%的产率得到7-bromo-1,2,3,4,5,6,7-hepta(methoxycarbonyl)cyclohepta-1,3,5-triene
  参考文献：
  名称：

  七(甲氧基羰基)环庚三烯卤代衍生物

  摘要：

  七（甲氧羰基）环庚三烯钾与氯和溴反应得到高产率的相应氯和溴庚（甲氧羰基）环庚三烯；氟代衍生物由相应的溴化物与氟化银的交换反应得到。与上述卤化物相比，碘衍生物已证明不稳定。研究了溴庚（甲氧基羰基）环庚三烯的热解，以及在用 NaN3 或甲醇处理后转化为叠氮基和甲氧基衍生物。

  DOI：

  10.1007/s11172-015-0851-4
• 作为试剂：
  描述：

  heptamethylcycloheptatrienyl tetrafluoroborate 在 1,2,3,4,5,6,7-(heptamethoxycarbonyl)cyclohepta-2,4,6-trien-1-yl potassium 作用下， 以 氘代乙腈 为溶剂， 以88%的产率得到hexamethylmethylenecycloheptatriene
  参考文献：
  名称：

  Reaction of 1,2,3,4,5,6,7-(heptamethoxycarbonyl)cyclohepta-2,4,6-trien-1-yl potassium with tropylium tetrafluoroborate to form cage structures

  摘要：

  A new original route to the construction of cage structures containing seven or more electron-withdrawing groups in a molecule was elaborated. This method is based on the reaction of a tropylium cation with a cycloheptatrienyl anion totally substituted with methoxycarbonyl groups. After the formation of a C-C bond between two different seven-membered carbocycles, some further transformations take place to give 2,3,4,5,6,7,8-hepta(methoxycarbonyl)pentacyclo[7.5.0.0(2.4).0(3.8).0(5.14)]tetradeca-7,10,12-triene (6). Low temperature NMR experiments for the formation of this compound and some of its reactions were also studied. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.06.033

文献信息

• Reactions of poly(methoxycarbonyl)-substituted cycloheptatrien-1-yl- and (N-mesylaminoethenyl)cyclopentadienyl anions with some aromatic cations
  作者：Yury V. Tomilov、Dmitry N. Platonov、Evgeny V. Shulishov、Galina P. Okonnishnikova、Anastasiya A. Levina

  DOI：10.1016/j.tet.2015.01.024

  日期：2015.3

  in a molecule is reported. This method is based on the reaction of stable organic cations with a cycloheptatrienyl anion totally substituted with methoxycarbonyl groups. After the formation of a C–C bond between two different carbocycles, some further transformations take place to give cage structures. Reactions of the same cations with N-mesyl-Z-1-[1,2-bis(methoxycarbonyl)-2-(methoxycarbonylamino)ethen-1-yl]-2

  报道了一种在分子中包含七个吸电子基团的笼状结构的新的原始路线。该方法基于稳定的有机阳离子与完全被甲氧基羰基取代的环庚三烯基阴离子的反应。在两个不同的碳环之间形成C–C键后，发生了一些进一步的转变，从而形成了笼状结构。相同阳离子与N-甲酰基-Z -1- [1,2-双（甲氧基羰基）-2-（甲氧基羰基氨基）乙烯-1-基] -2,3,4,5-四（甲氧基羰基）环戊二烯基阴离子的反应还研究了提供新型有机盐的方法。
• Electron deficient 5-hydroxy-1,2-dihydroisoquinolin-1-ones – A new class of fluorescent dyes with large Stokes shifts
  作者：Alexander Y. Belyy、Dmitry N. Platonov、Rinat F. Salikov、Konstantin P. Trainov、Michael G. Medvedev、Yuriy N. Luponosov、Evgeniya A. Svidchenko、Yury V. Tomilov

  DOI：10.1016/j.dyepig.2020.109107

  日期：2021.3

  A novel class of fluorescent electron-deficient 5-hydroxyisoquinolones is proposed. The new luminophores are obtained via the reaction of stable and easily available hepta(methoxycarbonyl)cycloheptatrienyl potassium with alkylamines, anilines and acylhydrazines. The new one-pot protocol is efficient with a large scope of primary amines. The solvolysis of N-acylamino substituted 5-hydroxyisoquinolones

  提出了一类新型的缺乏荧光电子的5-羟基异喹诺酮类。通过稳定且易于获得的七（甲氧基羰基）环庚三烯基钾与烷基胺，苯胺和酰基肼的反应获得新的发光体。新的一锅法对大量伯胺是有效的。N-酰基氨基取代的5-羟基异喹诺酮类的溶剂分解和随后的反应提供了进一步功能化的途径。几乎所有化合物都显示出荧光，并具有相当大的斯托克斯位移（高达6169 cm -1），除了含硝基和O的化合物取代的产品。在大多数其他情况下，量子产率，吸收和发射最大值，斯托克斯位移均基本上不依赖于异喹啉酮环氮原子上的取代基。
• A novel and unusual reaction of 1,2,3,4,5,6,7-hepta(methoxycarbonyl)-cyclohepta-2,4,6-trien-1-yl potassium with organic azides
  作者：Dmitry N. Platonov、Galina P. Okonnishnikova、Roman A. Novikov、Kyrill Yu. Suponitsky、Yury V. Tomilov

  DOI：10.1016/j.tetlet.2014.02.117

  日期：2014.4

  A new type of rearrangement of an unsaturated seven-membered cycle into substituted ethenylcyclopentadienyl derivatives is described. This process proceeds via a cascade reaction of 1,2,3,4,5,6,7-hepta(methoxycarbonyl)cycloheptatrienyl potassium with organic azides (sulfonyl and carbonyl azides), and affords in one experimental step, N-substituted Z-1[1,2-bis(methoxycarbonyl)-2-(methoxycarbonylamino)ethen-1-yl]-2,3,4,5-tetrakis(methoxycarbonyl)cyclopentadienyl anions, which represent a new type of chelating ligands. (C) 2014 Elsevier Ltd. All rights reserved.
• Synthesis of substituted 2-alkyl-5-hydroxy-1-oxo-1,2-dihydroisoquinolines and their new condensed structures
  作者：Dmitry N. Platonov、Galina P. Okonnishnikova、Yury V. Tomilov

  DOI：10.1016/j.mencom.2010.03.006

  日期：2010.3

  Original methods were developed for the synthesis of 1,2-dihydroisoquinoline derivatives by means of the cyclization of N-substituted hexamethoxycarbonyl-3-propenylpyridin-2-ones either upon action of bases or directly by reaction of hepta(methoxycarbonyl)cycloheptatrienyl potassium with primary amines.