2,6-bis<3-(p-hydroxyphenyl)-1-oxoprop-2-enyl>pyridine | 851908-75-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2,6-bis<3-(p-hydroxyphenyl)-1-oxoprop-2-enyl>pyridine
• 英文别名: 2,6-bis[3-(4-hydroxyphenyl)-1-oxoprop-3-enyl]pyridine；(E)-3-(4-hydroxyphenyl)-1-[6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyridin-2-yl]prop-2-en-1-one
• CAS: 851908-75-3
• 化学式: C₂₃H₁₇NO₄
• 分子量: 371.392
• InChiKey: GCSVDBMPVNYUKN-VOMDNODZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-bis<3-(p-hydroxyphenyl)-1-oxoprop-2-enyl>pyridine 、 N-<1-oxo-2-(2-pyridyl)ethyl>pyridinium iodide 在 乙酸铵 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以66%的产率得到4',4'''-bis(p-hydroxyphenyl)-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
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 、 对羟基苯甲醛 在 二乙胺 作用下， 以 丙醇 为溶剂， 反应 3.0h， 以53%的产率得到2,6-bis<3-(p-hydroxyphenyl)-1-oxoprop-2-enyl>pyridine
  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

• Hairpin helicates: a missing link between double-helicates and trefoil knots
  作者：Edwin C. Constable、Egbert Figgemeier、Inger Annette Hougen、Catherine E. Housecroft、Markus Neuburger、Silvia Schaffner、Louise A. Whall

  DOI：10.1039/b500209e

  日期：——

  We have prepared a novel ligand in which two qpy metal-binding domains are linked by a polyoxyethylene spacer. The new ligand reacts with copper(II) salts to form dinuclear double helicates with a hairpin structure. The hairpin complex and a model complex have been structurally characterised. The hairpin structure is formed regioselectively as the head-to-tail (HT) stereoisomer. Detailed electrochemical and spectroelectrochemical studies of the complexes are reported.

  我们准备了一种新型配体，其中两个qpy金属结合域通过聚氧乙烯间隔物连接。该新配体与铜(II)盐反应，形成具有发夹结构的二核双螺旋体。发夹复合物和一个模型复合物已进行了结构表征。发夹结构以区域选择性的方式形成头对尾（HT）立体异构体。报告了对这些复合物的详细电化学和光谱电化学研究。
• PEPTIDOMIMETIC MODULATORS OF CELL ADHESION
  申请人：Gour J. Barbara

  公开号：US20080081831A1

  公开（公告）日：2008-04-03

  Peptidomimetics of cyclic peptides, and compositions comprising such peptidomimetics are provided. The peptidomimetics have a three-dimensional structure that is substantially similar to a three-dimensional structure of a cyclic peptide that comprises a cadherin cell adhesion recognition sequence HAV. Methods for using such peptidomimetics for modulating cadherin-mediated cell adhesion in a variety of contexts are also provided.
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  申请人：Hidaka Chisa

  公开号：US20080260829A1

  公开（公告）日：2008-10-23

  This invention relates to BMP fusion genes, BMP fusion proteins. The invention further relates to methods for treatment using BMP fusion genes and BMP fusion proteins. Additionally, the invention relates to BMP fusion gene and BMP fusion protein pharmaceutical compositions.
• US7268115B2
  申请人：——

  公开号：US7268115B2

  公开（公告）日：2007-09-11
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  申请人：——

  公开号：US7446120B2

  公开（公告）日：2008-11-04