4',4'''-bis(p-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine | 151358-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4',4'''-bis(p-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine
• 英文别名: 4'4'''-bis(4-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine；4',4'''-bis(4-chlorophenyl)-2,':6',2'':6'',2''':6''',2''''-quinquepyridine；4',4'''-Bis(4-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine；4-(4-chlorophenyl)-2-[6-[4-(4-chlorophenyl)-6-pyridin-2-ylpyridin-2-yl]pyridin-2-yl]-6-pyridin-2-ylpyridine
• CAS: 151358-72-4
• 化学式: C₃₇H₂₃Cl₂N₅
• 分子量: 608.529
• InChiKey: MOYJMEWYAHKBEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  731.2±55.0 °C(predicted)
• 密度：
  1.291±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 4',4'''-bis(p-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine 在 copper(II) acetate 作用下， 以 甲醇 为溶剂， 以60-80的产率得到
  参考文献：
  名称：

  Mono- and di-nuclear helical complexes of 2,2′:6′,2″:6″,2‴:6‴,2â�—-quinquepyridine (qpy) and its 4′,4‴-disubstituted derivatives; crystal and molecular structures of [Co(bcpqpy)(H₂O)(MeOH)][PF₆]₂and [Ni₂(bmtqpy)₂(O₂CMe)][PF₆]₃[bcpqpy and bmtqpy = bis(p-chlorophenyl) and bis(methylthio) derivatives]

  摘要：

  A series of substituted 2,2':6',2'':6'',2''':6''',2'''-quinquepyridine ligands has been prepared and its co-ordination chemistry investigated. The presence of substituents on the ligand does not alter the co-ordination chemistry, and double-helical complexes of 2:2 metal: ligand stoichiometry are obtained with nickel(II) and copper. Cobalt(II) can form either 1 :1 or 2:2 solid-state species, but in solution only mononuclear seven-co-ordinate complex ions are present. The crystal and molecular structures have been determined for the mononuclear complex [Co(bcpqpy)(H2O)(MeOH)][PF6]2 [bcpqpy = 4',4'''-bis(p-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine] [monoclinic, space group P2(1)/a,a = 17.441 (4), b = 11.765(4), c = 20.402(6) angstrom, beta = 105.24(2)-degrees, Z = 4, R = 0.085, R' = 0.0766] and the double-helical complex [Ni2(bmtqpy)(O2CMe)][PF6]3 [bmtqpy=4',4'''-bis(methylthio)-2,2':6',2'':6'',2''':6''',2'''-quinquepyridine] [orthorhombic, space group Pnna, a = 16.916(17), b = 25.661(25), c = 16.054(14) angstrom, Z = 4, R = 0.086, R' = 0.088].

  DOI：

  10.1039/dt9930001947
• 作为产物：
  描述：

  4-氯苯甲醛 在 乙酸铵 、 溶剂黄146 、 二乙胺 作用下， 以 丙醇 、 乙醇 为溶剂， 反应 27.0h， 生成 4',4'''-bis(p-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine
  参考文献：
  名称：

  Mono- and di-nuclear helical complexes of 2,2′:6′,2″:6″,2‴:6‴,2â�—-quinquepyridine (qpy) and its 4′,4‴-disubstituted derivatives; crystal and molecular structures of [Co(bcpqpy)(H₂O)(MeOH)][PF₆]₂and [Ni₂(bmtqpy)₂(O₂CMe)][PF₆]₃[bcpqpy and bmtqpy = bis(p-chlorophenyl) and bis(methylthio) derivatives]

  摘要：

  A series of substituted 2,2':6',2'':6'',2''':6''',2'''-quinquepyridine ligands has been prepared and its co-ordination chemistry investigated. The presence of substituents on the ligand does not alter the co-ordination chemistry, and double-helical complexes of 2:2 metal: ligand stoichiometry are obtained with nickel(II) and copper. Cobalt(II) can form either 1 :1 or 2:2 solid-state species, but in solution only mononuclear seven-co-ordinate complex ions are present. The crystal and molecular structures have been determined for the mononuclear complex [Co(bcpqpy)(H2O)(MeOH)][PF6]2 [bcpqpy = 4',4'''-bis(p-chlorophenyl)-2,2':6',2'':6'',2''':6''',2''''-quinquepyridine] [monoclinic, space group P2(1)/a,a = 17.441 (4), b = 11.765(4), c = 20.402(6) angstrom, beta = 105.24(2)-degrees, Z = 4, R = 0.085, R' = 0.0766] and the double-helical complex [Ni2(bmtqpy)(O2CMe)][PF6]3 [bmtqpy=4',4'''-bis(methylthio)-2,2':6',2'':6'',2''':6''',2'''-quinquepyridine] [orthorhombic, space group Pnna, a = 16.916(17), b = 25.661(25), c = 16.054(14) angstrom, Z = 4, R = 0.086, R' = 0.088].

  DOI：

  10.1039/dt9930001947

文献信息

• Ruthenium complexes of 2,2′ : 6′,2″ : 6″,2‴ : 6‴,2⁗-quinquepyridine (qpy) and its derivatives
  作者：Edwin C Constable、Juliet V Walker

  DOI：10.1016/s0277-5387(98)00072-2

  日期：1998.8

  Abstract Ruthenium (II) complexes of 2,2′ :6′,2″ :6″,2‴ :6‴,2⁗-quinquepyridine ligands have been prepared and two series of complexes have been isolated. The first series consists of dinuclear double helical species of stoichiometry [Ru 2 L 2 Cl 2 ] [PF 6 ] 2 in which one ruthenium centre is coordinated to two 2,2′ :6′,2″-terpyridine domains of two 2,2′ :6′,2″ :6″,2‴ :6‴, 2⁗-quinquepyridine ligands

  摘要制备了2,2'：6'，2“：6”，2‴：6‴，2⁗-喹que啶配体的钌（II）配合物，并分离出两个系列的配合物。第一个系列由化学计量为[Ru 2 L 2 Cl 2] [PF 6] 2的双核双螺旋物质组成，其中一个钌中心与两个2的两个2,2'：6'，2''-吡啶吡啶结构域配位2′：6′，2″：6″，2′：6′，2′-喹吡啶吡啶配体，第二个与两个氯化物配体一起配位至其余的2，2′-联吡啶配体结构域。第二系列由单核[RuL 2] [PF 6] 2配合物组成，可以看成是前螺旋体。本质上，它们具有与[Ru 2 L 2 Cl 2] [PF 6] 2相同的结构特征，除了RuCl 2单元已被除去。
• Interconversion and ligand dependence in mononuclear and dinuclear cobalt(<scp>II</scp>) helicate complexes of 2,2′: 6′,2″: 6″,2‴:6‴,2â�—-quinquepyridines; crystal and molecular structure of aqua(methanol)[4′,4‴-bis(4-chlorophenyl)-2,2′:6′,2″:6″,2‴:6‴,2â�—-quinquepyridine]cobalt(<scp>II</scp>) bis(hexafluorophosphate)
  作者：Edwin C. Constable、Juliet V. Walker、Derek A. Tocher、Marcus A. M. Daniels

  DOI：10.1039/c39920000768

  日期：——

  The crystal and molecular structure of [Co(cp2qpy)(MeOH)(H2O)][PF6]2(cp2qpy = 4′,4‴-bis(4-chlorophenyl)-2,2′:6′,2″:6″,2‴:6‴,2â�—-quinquepyridine reveal the cation to be a mono-helical seven-coordinate species [P21/a, a= 17.441(4), b= 11.765(4), c= 20.402(6)å, β= 105.24(2)°] unlike 2,2′:6′,2″: 6″,2‴ :6‴,2‴ quinquepyridine (qpy), which forms a double-helical 2:2 complex with cobalt(II), [Co2(qpy)2(OAc)]3+;

  [Co（cp 2 qpy）（MeOH）（H 2 O）] [PF 6 ] 2（cp 2 qpy = 4'，4‴-双（4-氯苯基）-2,2'的晶体和分子结构： 6′，2″：6″，2‴：6‴，2â-喹que啶揭示该阳离子为单螺旋七坐标物种[ P 2 1 / a，a = 17.441（4），b = 11.765 （4），c = 20.402（6）å，β= 105.24（2）°]不像2,2'：6'，2″：6″，2‴：6‴，2‴喹que啶（qpy），钴（II）[[Co 2（qpy）2（OAc）] 3+的双螺旋2：2络合物；在乙腈溶液中qpy和cp2个qpy复合物会形成常见的单核物种。
• A tetranuclear meso-helicate
  作者：Edwin C. Constable、Markus Neuburger、Louise A. Whall、Margareta Zehnder

  DOI：10.1039/a709243a

  日期：——

  A tetranuclear complex formed from the linking together of two double-helical dicobalt species by acetate bridges has been structurally characterised; the tetranuclear unit consists of two helicates of opposite P and M chirality.

  通过醋酸桥将两个双螺旋二钴连接在一起，形成了一个四核复合物，并对其进行了结构表征；四核单元由两个螺旋体组成，螺旋体的 P 和 M 手性相反。
• Constable, Edwin C.; Edwards, Andrew J.; Raithby, Paul R., Angewandte Chemie, 1993, vol. 105, p. 1486 - 1487
  作者：Constable, Edwin C.、Edwards, Andrew J.、Raithby, Paul R.、Walker, Juliet V.

  DOI：——

  日期：——