4'-(4-dodecyloxyphenyl)-4,2':6',4''-terpyridine | 1356231-02-1

• 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-dodecyloxyphenyl)-4,2':6',4''-terpyridine
• 英文别名: 4-(4-Dodecoxyphenyl)-2,6-dipyridin-4-ylpyridine；4-(4-dodecoxyphenyl)-2,6-dipyridin-4-ylpyridine
• CAS: 1356231-02-1
• 化学式: C₃₃H₃₉N₃O
• 分子量: 493.692
• InChiKey: UADRPOWSWFGHRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4'-(4-dodecyloxyphenyl)-4,2':6',4''-terpyridine 、 zinc(II) acetate dihydrate 以 甲醇 、 二氯甲烷 为溶剂， 以72.6%的产率得到[Zn2(μ-OAc)4(4'-(4-dodecyloxyphenyl)-4,2':6',4''-terpyridine)2]
  参考文献：
  名称：

  A matter of greasy tails: Interdigitation of alkyl chains in free and coordinated 4′-(4-dodecyloxyphenyl)-4,2′:6′,4″-terpyridines

  摘要：

  The syntheses and single crystal structures of 4'-(4-dodecyloxyphenyl)-4,2':6',4 ''-terpyridine. 2, and [Zn-2(mu-OAc)(4)(2)(2)] are reported. Crystal packing is dominated by van der Waals interactions between fully extended alkyl chains producing lamellar structures in both compounds, and appears to be the reason for the formation of crystalline [Zn-2(mu-OAc)(4)(2)(2)] rather than a one-dimensional coordination polymer as observed for related compounds. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.10.004
• 作为产物：
  描述：

  4-乙酰吡啶 、 4-正癸氧基苯甲醛 在 氨 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以60%的产率得到4'-(4-dodecyloxyphenyl)-4,2':6',4''-terpyridine
  参考文献：
  名称：

  A matter of greasy tails: Interdigitation of alkyl chains in free and coordinated 4′-(4-dodecyloxyphenyl)-4,2′:6′,4″-terpyridines

  摘要：

  The syntheses and single crystal structures of 4'-(4-dodecyloxyphenyl)-4,2':6',4 ''-terpyridine. 2, and [Zn-2(mu-OAc)(4)(2)(2)] are reported. Crystal packing is dominated by van der Waals interactions between fully extended alkyl chains producing lamellar structures in both compounds, and appears to be the reason for the formation of crystalline [Zn-2(mu-OAc)(4)(2)(2)] rather than a one-dimensional coordination polymer as observed for related compounds. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.10.004

文献信息

• A matter of greasy tails: Interdigitation of alkyl chains in free and coordinated 4′-(4-dodecyloxyphenyl)-4,2′:6′,4″-terpyridines
  作者：Edwin C. Constable、Guoqi Zhang、Catherine E. Housecroft、Jennifer A. Zampese

  DOI：10.1016/j.inoche.2011.10.004

  日期：2012.1

  The syntheses and single crystal structures of 4'-(4-dodecyloxyphenyl)-4,2':6',4 ''-terpyridine. 2, and [Zn-2(mu-OAc)(4)(2)(2)] are reported. Crystal packing is dominated by van der Waals interactions between fully extended alkyl chains producing lamellar structures in both compounds, and appears to be the reason for the formation of crystalline [Zn-2(mu-OAc)(4)(2)(2)] rather than a one-dimensional coordination polymer as observed for related compounds. (C) 2011 Elsevier B.V. All rights reserved.