pentacosa-10,12-diynyl 4-methylbenzenesulfonate | 110836-14-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: pentacosa-10,12-diynyl 4-methylbenzenesulfonate
• CAS: 110836-14-1
• 化学式: C₃₂H₅₀O₃S
• 分子量: 514.813
• InChiKey: KJXDMZDHXMWACD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.14
• 重原子数：
  36.0
• 可旋转键数：
  21.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  pentacosa-10,12-diynyl 4-methylbenzenesulfonate 在 sodium hydrogensulfide 作用下， 以 乙醇 为溶剂， 反应 11.0h， 生成 dipentacosa-10,12-diyn-disulfide
  参考文献：
  名称：

  The synthesis of conjugated diacetylene monomers for the fabrication of polymerized monolayer assemblies

  摘要：

  Symmetrical disulfides containing conjugated diacetylene groups for use in forming polymerized self-assembled monolayers have been fabricated using common synthetic techniques. In contrast with previous reports, the proposed synthetic route does not require the use of hexamethylphosphoramide (HMPA) or the incorporation of an ester moiety near the surface attachment site. Overall yields of 20-30% are readily achieved for this four-step synthesis. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02262-9
• 作为产物：
  描述：

  10,12-二十五碳二炔酸 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.75h， 生成 pentacosa-10,12-diynyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Fine-Tuning the Morphology of Self-Assembled Nanostructures of Propargyl Ammonium-Based Amphiphiles

  摘要：

  N-Methyl-N-(pentacosa-10,12-diyn)-propargylamine organizes itself into an unusual supramolecular pH- and thermo-responsive system. Studies have showed that submillimetric length hollow laths form this unique structure in the presence of hydrochloric acid. Specific chemical modifications on the initial molecule and small-angle neutron scattering experiments were performed to understand the structure of this system. Our results allow us to suggest a possible structure of the laths.

  DOI：

  10.1021/jp104911e