methyl 3,4,5-(3,7-(S)-dimethyl-6-octenyloxy)benzoate | 798567-88-1

• 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: methyl 3,4,5-(3,7-(S)-dimethyl-6-octenyloxy)benzoate
• 英文别名: methyl 3,4,5-tris[(3S)-3,7-dimethyloct-6-enoxy]benzoate
• CAS: 798567-88-1
• 化学式: C₃₈H₆₂O₅
• 分子量: 598.907
• InChiKey: QEQITJYZIFZGPD-ZDCRTTOTSA-N

物化性质

• 沸点：
  629.4±45.0 °C(Predicted)
• 密度：
  0.956±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  43
• 可旋转键数：
  23
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3,4,5-(3,7-(S)-dimethyl-6-octenyloxy)benzoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以90%的产率得到methyl 3,4,5-(3,7-(S)-dimethyl-octyloxy)benzoate
  参考文献：
  名称：

  The first examples of supramolecular discotic C3h tris(N-salicylideneamine)s featuring inter- and intra-molecular H-bonding: synthesis and characterization

  摘要：

  Supramolecular liquid crystalline tris(N-salicylideneamine)s (TSANs) featuring both inter- and intramolecular hydrogen bonding have been synthesized and characterized for the first time. These TSANs formed by condensing 3 equiv of 3,4,5-trialkoxybenzoylhydrazine with 1,3,5-triformylphloroglucinol exist as the single C-3h-symmetric keto-enamine product solely, unlike the previously reported TSANs. Their self-assembly into supramolecular fluid hexagonal columnar phase over a wide thermal range is evidenced with the aid of optical microscopic, calorimetric, and powder X-ray diffraction techniques. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.124
• 作为产物：
  描述：

  没食子酸甲酯 、 (S)-(+)-溴化香茅酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 methyl 3,4,5-(3,7-(S)-dimethyl-6-octenyloxy)benzoate
  参考文献：
  名称：

  The first examples of supramolecular discotic C3h tris(N-salicylideneamine)s featuring inter- and intra-molecular H-bonding: synthesis and characterization

  摘要：

  Supramolecular liquid crystalline tris(N-salicylideneamine)s (TSANs) featuring both inter- and intramolecular hydrogen bonding have been synthesized and characterized for the first time. These TSANs formed by condensing 3 equiv of 3,4,5-trialkoxybenzoylhydrazine with 1,3,5-triformylphloroglucinol exist as the single C-3h-symmetric keto-enamine product solely, unlike the previously reported TSANs. Their self-assembly into supramolecular fluid hexagonal columnar phase over a wide thermal range is evidenced with the aid of optical microscopic, calorimetric, and powder X-ray diffraction techniques. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.124

文献信息

• New Platforms Integrating Ethynyl-Grafted Modules for Organogels and Mesomorphic Superstructures
  作者：Franck Camerel、Gilles Ulrich、Raymond Ziessel

  DOI：10.1021/ol048503n

  日期：2004.11.1

  A methyldiacylaminophenyl core substituted with gallic derivatives and alkynyl functions has been synthesized from 2,6-diamino-4-iodotoluene. By heating the iodo and ethynyl molecules, typical columnar mesophases are observed and the C-12 synthons bearing a protected terminal alkyne group gelified acetone, via the formation of interlocked fibers which are promoted by intermolecular hydrogen bonding.
• The first examples of supramolecular discotic C3h tris(N-salicylideneamine)s featuring inter- and intra-molecular H-bonding: synthesis and characterization
  作者：C.V. Yelamaggad、Rashmi Prabhu、D.S. Shankar Rao、S. Krishna Prasad

  DOI：10.1016/j.tetlet.2010.06.124

  日期：2010.8

  Supramolecular liquid crystalline tris(N-salicylideneamine)s (TSANs) featuring both inter- and intramolecular hydrogen bonding have been synthesized and characterized for the first time. These TSANs formed by condensing 3 equiv of 3,4,5-trialkoxybenzoylhydrazine with 1,3,5-triformylphloroglucinol exist as the single C-3h-symmetric keto-enamine product solely, unlike the previously reported TSANs. Their self-assembly into supramolecular fluid hexagonal columnar phase over a wide thermal range is evidenced with the aid of optical microscopic, calorimetric, and powder X-ray diffraction techniques. (C) 2010 Elsevier Ltd. All rights reserved.