8,10,19,20-tetranitro-1,6,12,17-tetraaza[14]cyclophane | 1233222-47-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 8,10,19,20-tetranitro-1,6,12,17-tetraaza[14]cyclophane
• 英文别名: 4,6,15,17-Tetranitro-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene
• CAS: 1233222-47-3
• 化学式: C₂₄H₁₆N₈O₈
• 分子量: 544.44
• InChiKey: CXNIQMSUMJILFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  246
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  8,10,19,20-tetranitro-1,6,12,17-tetraaza[14]cyclophane 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以65%的产率得到N,N',N'',N'''-tetramethyl-8,10,19,20-tetranitro-1,6,12,17-tetraaza[14]cyclophane
  参考文献：
  名称：

  Unprecedented N(H)-bridged tetraaza[1.1.1.1]m,p,m,p-cyclophanes

  摘要：

  The first uncatalyzed preparation of tetraaza[1.1.1.1]m,p,m,p-cyclophanes (symmetrical and unsymmetrical) gave access to previously unknown N(H)-bridged derivatives that could be further substituted. NMR studies and theoretical calculations show that these macrocycles adopt an 1,3-alternated conformation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.03.114
• 作为产物：
  描述：

  1,5-二氟-2,4-二硝基苯 、 N,N'-(4,6-dinitro-1,3-phenylene)dibenzene-1,4-diamine 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 以84%的产率得到8,10,19,20-tetranitro-1,6,12,17-tetraaza[14]cyclophane
  参考文献：
  名称：

  [EN] COMPOUNDS FOR THE DETECTION, CAPTURE AND/OR SEPARATION OF POLLUTING GASES
  [FR] COMPOSÉS POUR LA DÉTECTION, LA CAPTURE ET/OU LA SÉPARATION DE GAZ POLLUANTS

  摘要：

  本发明的一个对象是利用具有通式（I）的化合物：（I）其中V、W、X4、X5、X6、X7、X'4、X'5、X'6、X'7、Y、Y'、R3、R'3、R4和R'4如权利要求1至11中的任一定义，用于检测、捕获和/或分离污染气体，特别是选自群组包括二氧化碳、甲烷、二氧化硫、氮氧化物、一氧化碳、直链烃、直链单烯及其混合物，更优选是二氧化碳。本发明的另一个对象是通式（I）中V、W、X4、X5、X6、X7、X'4、X'5、X'6、X'7、Y、Y'、R3、R'3、R4和R'4如权利要求12至21中的任一定义的化合物。

  公开号：

  WO2017109178A1

文献信息

• [EN] COMPOUNDS FOR THE DETECTION, CAPTURE AND/OR SEPARATION OF POLLUTING GASES<br/>[FR] COMPOSÉS POUR LA DÉTECTION, LA CAPTURE ET/OU LA SÉPARATION DE GAZ POLLUANTS
  申请人：CENTRE NAT DE LA RECH SCIENT - CNRS -

  公开号：WO2017109178A1

  公开（公告）日：2017-06-29

  A subject of the present invention is the use of a compound having the general formula (I): (I) wherein V, W, X4, X5, X6, X7, X'4, X'5, X'6, X'7, Y, Y', R3, R'3, R4 and R'4 are as defined in any one of claims 1 to 11, for the detection, capture and/or separation of polluting gases, in particular those selected from the group comprising carbon dioxide, methane, sulfur dioxide, nitrogen oxides, carbon monoxide, linear hydrocarbons, linear mono-olefins and their mixtures, and preferably carbon dioxide. Another subject of the invention is a compound of formula (I) wherein V, W, X4, X5, X6, X7, X'4, X'5, X'6, X'7, Y, Y', R3, R'3, R4 and R'4 are as defined in any one of claims 12 to 21.

  本发明的一个对象是利用具有通式（I）的化合物：（I）其中V、W、X4、X5、X6、X7、X'4、X'5、X'6、X'7、Y、Y'、R3、R'3、R4和R'4如权利要求1至11中的任一定义，用于检测、捕获和/或分离污染气体，特别是选自群组包括二氧化碳、甲烷、二氧化硫、氮氧化物、一氧化碳、直链烃、直链单烯及其混合物，更优选是二氧化碳。本发明的另一个对象是通式（I）中V、W、X4、X5、X6、X7、X'4、X'5、X'6、X'7、Y、Y'、R3、R'3、R4和R'4如权利要求12至21中的任一定义的化合物。
• Compounds for the detection, capture and/or separation of polluting gases
  申请人：Centre National de la Recherche Scientique—CNRS-

  公开号：US10940425B2

  公开（公告）日：2021-03-09

  A subject of the present invention is the use of a compound having the general formula (I): (I) wherein V, W, X4, X5, X6, X7, X′4, X′5, X′6, X′7, Y, Y′, R3, R′3, R4 and R′4 are as defined in any one of claims 1 to 11, for the detection, capture and/or separation of polluting gases, in particular those selected from the group comprising carbon dioxide, methane, sulfur dioxide, nitrogen oxides, carbon monoxide, linear hydrocarbons, linear mono-olefins and their mixtures, and preferably carbon dioxide. Another subject of the invention is a compound of formula (I) wherein V, W, X4, X5, X6, X7, X′4, X′5, X′6, X′7, Y, Y′, R3, R′3, R4 and R′4 are as defined in any one of claims 12 to 21.

  本发明的一个主题是使用具有通式(I)的化合物：(I)其中V、W、X4、X5、X6、X7、X′4、X′5、X′6、X′7、Y、Y′、R3、R′3、R4和R′4如权利要求1至11中任一项所定义，用于检测、捕获和/或分离污染气体、特别是从二氧化碳、甲烷、二氧化硫、氮氧化物、一氧化碳、线性碳氢化合物、线性单烯烃及其混合物中选出的气体，最好是二氧化碳。本发明的另一个主题是式(I)化合物 其中V、W、X4、X5、X6、X7、X′4、X′5、X′6、X′7、Y、Y′、R3、R′3、R4和R′4如权利要求12至21中任一项所定义。
• EP3184509A1
  申请人：——

  公开号：EP3184509A1

  公开（公告）日：2017-06-28
• Compounds for the Detection, Capture and/or Separation of Polluting Gases
  申请人：Centre National de la Recherche Scientique -CNRS-

  公开号：US20190001252A1

  公开（公告）日：2019-01-03

  A subject of the present invention is the use of a compound having the general formula (I): (I) wherein V, W, X 4 , X 5 , X 6 , X 7 , X′ 4 , X′ 5 , X′ 6 , X′ 7 , Y, Y′, R 3 , R′ 3 , R 4 and R′ 4 are as defined in any one of claims 1 to 11 , for the detection, capture and/or separation of polluting gases, in particular those selected from the group comprising carbon dioxide, methane, sulfur dioxide, nitrogen oxides, carbon monoxide, linear hydrocarbons, linear mono-olefins and their mixtures, and preferably carbon dioxide. Another subject of the invention is a compound of formula (I) wherein V, W, X 4 , X 5 , X 6 , X 7 , X′ 4 , X′ 5 , X′ 6 , X′ 7 , Y, Y′, R 3 , R′ 3 , R 4 and R′ 4 are as defined in any one of claims 12 to 21 .
• Unprecedented N(H)-bridged tetraaza[1.1.1.1]m,p,m,p-cyclophanes
  作者：Mounia Touil、Jean-Manuel Raimundo、Mohammed Lachkar、Philippe Marsal、Olivier Siri

  DOI：10.1016/j.tet.2010.03.114

  日期：2010.6

  The first uncatalyzed preparation of tetraaza[1.1.1.1]m,p,m,p-cyclophanes (symmetrical and unsymmetrical) gave access to previously unknown N(H)-bridged derivatives that could be further substituted. NMR studies and theoretical calculations show that these macrocycles adopt an 1,3-alternated conformation. (C) 2010 Elsevier Ltd. All rights reserved.