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1,5-bis(3-pyridyl)hexamethyltrisiloxane | 501327-05-5

中文名称
——
中文别名
——
英文名称
1,5-bis(3-pyridyl)hexamethyltrisiloxane
英文别名
3,3'-(1,1,3,3,5,5-Hexamethyltrisiloxane-1,5-diyl)dipyridine;bis[[dimethyl(pyridin-3-yl)silyl]oxy]-dimethylsilane
1,5-bis(3-pyridyl)hexamethyltrisiloxane化学式
CAS
501327-05-5
化学式
C16H26N2O2Si3
mdl
——
分子量
362.651
InChiKey
HFHCQRJDWLKXJP-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    371.9±40.0 °C(Predicted)
  • 密度:
    1.02±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.74
  • 重原子数:
    23
  • 可旋转键数:
    6
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    44.2
  • 氢给体数:
    0
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    氘代吡啶 、 palladium diacetate 、 1,5-bis(3-pyridyl)hexamethyltrisiloxane氘代甲苯 为溶剂, 生成 Pd(acetate)2(pyridine-d5)2
    参考文献:
    名称:
    Bis(pyridyl)siloxane Oligomeric Ligands for Palladium(II) Acetate: Synthesis and Binding Properties
    摘要:
    The complexation of a series of new bis(meia-pyridyl)methylsiloxane ligands with palladium(II) acetate in dilute toluene-d(8) solution was studied by (1)H NMR at 233-363 K, measuring the binding affinity and ring chain distribution as a function of ligand structure, temperature, and concentration. Significant differences in the ring distribution and Pd binding affinity were observed as a function of siloxane chain length, with hexa- and heptasiloxane spacers binding Pd most effectively. The (1)H NMR resonance of the singlet ortho aromatic proton was shifted unusually far downfield for the bidentate complex; the effect was strongest for the shortest chains and disappeared for chains with 10 or more siloxane units. Fitting the experimental data to a modified Jacobson-Stockmayer model demonstrated that the bidentate bis(pyridyl)siloxane complexes function as chelates in the concentration range 1-10 mM. Variable-temperature studies showed that all of the observed cyclic coordination oligomers are strainless. Therefore, entropic effects are implicated as the main cause of the observed trends in binding affinity, particularly the loss of conformational freedom of the siloxane chain upon binding.
    DOI:
    10.1021/om100316n
  • 作为产物:
    描述:
    3-溴吡啶1,5-二氯六甲基三硅氧烷 以80%的产率得到1,5-bis(3-pyridyl)hexamethyltrisiloxane
    参考文献:
    名称:
    A Unique Double Strand Consisting of Siloxane-Type Macrocycles
    摘要:
    AgCF3SO3 与 1,5-双(3-吡啶基)六甲基三硅氧烷的反应产生了由硅氧烷大环组成的独特双链,这种双链通过吡啶环的π-π堆叠和强烈的 Ag(I)-Ag(I) 相互作用而得以维持。
    DOI:
    10.1246/cl.2002.1096
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文献信息

  • Bis(pyridyl)siloxane Oligomeric Ligands for Palladium(II) Acetate: Synthesis and Binding Properties
    作者:Michael N. Missaghi、John M. Galloway、Harold H. Kung
    DOI:10.1021/om100316n
    日期:2010.9.13
    The complexation of a series of new bis(meia-pyridyl)methylsiloxane ligands with palladium(II) acetate in dilute toluene-d(8) solution was studied by (1)H NMR at 233-363 K, measuring the binding affinity and ring chain distribution as a function of ligand structure, temperature, and concentration. Significant differences in the ring distribution and Pd binding affinity were observed as a function of siloxane chain length, with hexa- and heptasiloxane spacers binding Pd most effectively. The (1)H NMR resonance of the singlet ortho aromatic proton was shifted unusually far downfield for the bidentate complex; the effect was strongest for the shortest chains and disappeared for chains with 10 or more siloxane units. Fitting the experimental data to a modified Jacobson-Stockmayer model demonstrated that the bidentate bis(pyridyl)siloxane complexes function as chelates in the concentration range 1-10 mM. Variable-temperature studies showed that all of the observed cyclic coordination oligomers are strainless. Therefore, entropic effects are implicated as the main cause of the observed trends in binding affinity, particularly the loss of conformational freedom of the siloxane chain upon binding.
  • A Unique Double Strand Consisting of Siloxane-Type Macrocycles
    作者:Ok-Sang Jung、Young-A Lee、Yun Ju Kim
    DOI:10.1246/cl.2002.1096
    日期:2002.11
    Reaction of AgCF3SO3 with 1,5-bis(3-pyridyl)hexamethyltrisiloxane produces a unique double strand consisting of siloxane macrocycles that is sustained by both the π–π stackings of pyridine rings and the strong Ag(I)–Ag(I) interactions.
    AgCF3SO3 与 1,5-双(3-吡啶基)六甲基三硅氧烷的反应产生了由硅氧烷大环组成的独特双链,这种双链通过吡啶环的π-π堆叠和强烈的 Ag(I)-Ag(I) 相互作用而得以维持。
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