4-(1S-methylheptyloxy)phenylacetylene | 130709-90-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(1S-methylheptyloxy)phenylacetylene
• 英文别名: 1-ethynyl-4-[(2S)-octan-2-yl]oxybenzene
• CAS: 130709-90-9
• 化学式: C₁₆H₂₂O
• 分子量: 230.35
• InChiKey: RBWGECVVCIZWBS-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.41
• 重原子数：
  17.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-(1S-methylheptyloxy)phenylacetylene 、 cholesteryl 6-(4-iodophenoxy)hexanoate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以85%的产率得到cholesteryl 6-{4-[4-(1S-methylheptyloxy)phenylethynyl]phenoxy}hexanoate
  参考文献：
  名称：

  Yelamaggad, C. V.; Nagamani, S. Anitha; Rao, D. S. Shankar, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2001, vol. 363, p. 1 - 18

  摘要：

  DOI：
• 作为产物：
  描述：

  L-2-辛醇 在 bis-triphenylphosphine-palladium(II) chloride 、 氢氧化钾 、 copper(l) iodide 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-(1S-methylheptyloxy)phenylacetylene
  参考文献：
  名称：

  Highly twisting enantiomeric radial multiyne dopants for discotic liquid-crystalline systems

  摘要：

  The synthesis and dopant properties of both the (R,R,R,R,R)- and (S,S,S,S,S)-hexadecyloxy{pentakis [:4-(1-methylheptyloxy)-phenylethynyl]} benzene enantiomers are described. Although the materials were found not to be liquid-crystalline, it was found possible to induce left [for the (R,R,R,R,R)-enantiomer] and right handed [for the (S,S,S,S,S)-enantiomer] chiral discotic nematic phases (N-D*) as well as being only the second instance of the observation of discotic blue phases (BPDIII and BPDII) in binary mixtures with the hexayne host, hexakis(4-nonylphenylethynyl)benzene; a phase diagram is presented. The helical pitch and helical twisting power of the dopants was measured by use of the modified Cane method, and revealed far higher twisting powers than previously reported pentaynes. In addition the temperature dependent and angular dependent selective reflection spectra are reported, along with average refractive index approximations, which enable the pitch length of the chiral discotic nematic phase(N-D*) to be estimated to be of the order of 0.36 to 0.35 mu m.

  DOI：

  10.1039/jm9960600927

文献信息

• SEHTO, KODZI;SIMODZITODOKORO, XIROSI
  作者：SEHTO, KODZI、SIMODZITODOKORO, XIROSI

  DOI：——

  日期：——