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tert-butyl N-[3-[3,5-bis[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenoxy]propyl]carbamate | 1246452-36-7

中文名称
——
中文别名
——
英文名称
tert-butyl N-[3-[3,5-bis[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenoxy]propyl]carbamate
英文别名
——
tert-butyl N-[3-[3,5-bis[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenoxy]propyl]carbamate化学式
CAS
1246452-36-7
化学式
C42H45NO3
mdl
——
分子量
611.824
InChiKey
FWMYOMXGOQDGBB-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

计算性质

  • 辛醇/水分配系数(LogP):
    10.8
  • 重原子数:
    46
  • 可旋转键数:
    15
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    47.6
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    tert-butyl N-[3-[3,5-bis[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenoxy]propyl]carbamatecopper(l) chloride 、 copper dichloride 作用下, 以 吡啶 为溶剂, 反应 96.0h, 以43%的产率得到
    参考文献:
    名称:
    Self-Organization of Coil−Ring−Coil Structures into Tubular Supramolecular Polymer Brushes: Synthesis, Morphology, and Growth
    摘要:
    Shape-persistent macrocycles based on the phenylene-ethynylene-butadiynylene backbone with extraannular amino groups were synthesized by the oxidative dimerization of. the corresponding (BOC-protected) half-ring bisacetylenes. ABA block structures with a central rigid macrocycle and a flexible periphery (oligoalkyl and oligostyryl groups) were subsequently obtained by carbodiimide directed coupling of the macrocyclic diamines with the corresponding carboxylic acids. Depending on the solvent, an aggregation of the compounds toward tubular supramolecular polymer brushes could be induced. Cryogenic transmission electron microscopy and small-angle neutron scattering reveal the tubelike aggregates in solution. Atomic force microscopy confirms the morphology of these aggregates after casting onto surfaces. The aggregate growth occurs remarkably slowly. Solvophobic interactions-good solubility of the flexible substituents and weak solubility of the rigid macrocycle-combined with the oblate shape of the latter are determined as driving forces for the directed self-organization.
    DOI:
    10.1021/ma1016242
  • 作为产物:
    描述:
    参考文献:
    名称:
    Self-Organization of Coil−Ring−Coil Structures into Tubular Supramolecular Polymer Brushes: Synthesis, Morphology, and Growth
    摘要:
    Shape-persistent macrocycles based on the phenylene-ethynylene-butadiynylene backbone with extraannular amino groups were synthesized by the oxidative dimerization of. the corresponding (BOC-protected) half-ring bisacetylenes. ABA block structures with a central rigid macrocycle and a flexible periphery (oligoalkyl and oligostyryl groups) were subsequently obtained by carbodiimide directed coupling of the macrocyclic diamines with the corresponding carboxylic acids. Depending on the solvent, an aggregation of the compounds toward tubular supramolecular polymer brushes could be induced. Cryogenic transmission electron microscopy and small-angle neutron scattering reveal the tubelike aggregates in solution. Atomic force microscopy confirms the morphology of these aggregates after casting onto surfaces. The aggregate growth occurs remarkably slowly. Solvophobic interactions-good solubility of the flexible substituents and weak solubility of the rigid macrocycle-combined with the oblate shape of the latter are determined as driving forces for the directed self-organization.
    DOI:
    10.1021/ma1016242
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文献信息

  • Self-Organization of Coil−Ring−Coil Structures into Tubular Supramolecular Polymer Brushes: Synthesis, Morphology, and Growth
    作者:Martin Fritzsche、Stefan-Sven Jester、Sigurd Höger、Christina Klaus、Nico Dingenouts、Peter Linder、Markus Drechsler、Sabine Rosenfeldt
    DOI:10.1021/ma1016242
    日期:2010.10.26
    Shape-persistent macrocycles based on the phenylene-ethynylene-butadiynylene backbone with extraannular amino groups were synthesized by the oxidative dimerization of. the corresponding (BOC-protected) half-ring bisacetylenes. ABA block structures with a central rigid macrocycle and a flexible periphery (oligoalkyl and oligostyryl groups) were subsequently obtained by carbodiimide directed coupling of the macrocyclic diamines with the corresponding carboxylic acids. Depending on the solvent, an aggregation of the compounds toward tubular supramolecular polymer brushes could be induced. Cryogenic transmission electron microscopy and small-angle neutron scattering reveal the tubelike aggregates in solution. Atomic force microscopy confirms the morphology of these aggregates after casting onto surfaces. The aggregate growth occurs remarkably slowly. Solvophobic interactions-good solubility of the flexible substituents and weak solubility of the rigid macrocycle-combined with the oblate shape of the latter are determined as driving forces for the directed self-organization.
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