(2R,4R,6R)-2,4,6-trimethyloctanoic acid | 10553-00-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,4R,6R)-2,4,6-trimethyloctanoic acid
• CAS: 10553-00-1
• 化学式: C₁₁H₂₂O₂
• 分子量: 186.294
• InChiKey: MMFPDXXSPJWGQM-OPRDCNLKSA-N

物化性质

• 沸点：
  282.7±8.0 °C(Predicted)
• 密度：
  0.904±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-O-(β-D-2',3',4',6'-tetra-O-acetyl-glucopyranosyl)-sn-glycerol 、 (2R,4R,6R)-2,4,6-trimethyloctanoic acid 在 4-吡咯烷基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到1,2-di-O-[(2'R,4'R,6'R)-2',4',6'-trimethyloctanoyl]-3-O-(2'',3'',4'',6''-tetra-O-acetyl-β-D-glucopyranosyl)-sn-glycerol
  参考文献：
  名称：

  Synthesis and mesogenic properties of glycosyl diacylglycerols

  摘要：

  We synthesised glycosyl diacylglycerols bearing unsaturated or chiral methyl branched fatty acid chains. The thermotropism was measured with polarising microscopy and additionally the lyotropism with the contact preparation method. The synthesised compounds displayed thermotropic S-A (lamellar), cubic and columnar phases and investigation of the lyotropic phase behaviour led to the observation of inverted bicontinuous cubic V-H phases, lamellar L-x phases and normal bicontinuous cubic V-I phases, The phases are discussed with respect to the chemical structures that have been varied systematically to derive structure-property relationships. (C) 2002 Elsevier Science Ireland Ltd. All rights reserved.

  DOI：

  10.1016/s0009-3084(01)00202-x

文献信息

• Synthesis and mesogenic properties of glycosyl diacylglycerols
  作者：H.M von Minden、M Morr、G Milkereit、E Heinz、V Vill

  DOI：10.1016/s0009-3084(01)00202-x

  日期：2002.1

  We synthesised glycosyl diacylglycerols bearing unsaturated or chiral methyl branched fatty acid chains. The thermotropism was measured with polarising microscopy and additionally the lyotropism with the contact preparation method. The synthesised compounds displayed thermotropic S-A (lamellar), cubic and columnar phases and investigation of the lyotropic phase behaviour led to the observation of inverted bicontinuous cubic V-H phases, lamellar L-x phases and normal bicontinuous cubic V-I phases, The phases are discussed with respect to the chemical structures that have been varied systematically to derive structure-property relationships. (C) 2002 Elsevier Science Ireland Ltd. All rights reserved.