(4'-cyanobiphenyl-4-yl) 11-(dimethylchlorosilyl)undecanoate | 179108-72-6

• 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: (4'-cyanobiphenyl-4-yl) 11-(dimethylchlorosilyl)undecanoate
• 英文别名: 4'-cyanobiphenyl-4-yl 11-(dimethylchlorosilyl)undecanoate；[4-(4-Cyanophenyl)phenyl] 11-[chloro(dimethyl)silyl]undecanoate
• CAS: 179108-72-6
• 化学式: C₂₆H₃₄ClNO₂Si
• 分子量: 456.1
• InChiKey: IGINREYBIAZDSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.09
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4'-cyanobiphenyl-4-yl) 11-(dimethylchlorosilyl)undecanoate 在 水 、 碳酸氢钠 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 2.0h， 以78.6%的产率得到1,3-bis[10-(4'-cyanobiphenyl-4-ylcarbonyloxy)decyl]tetramethyldisiloxane
  参考文献：
  名称：

  摘要：

  Liquid crystalline (LC) organosiloxanes with two terminal cyanobiphenylyl groups at tached to a linear or cyclic siloxane center through an aliphatic spacer (CH2)(n) with n=10 synthesized. The ability of compounds to pass into the LC state was confirmed by thermooptical, X-ray diffraction, and calorimetric measurements. The temperatures and the enthalpies of phase transitions were determined. The types of LC structures and the capability of one compound for polymesomorphism to form the chiral SmC* phase without a chiral center in the mesogenic group were established. The temperatures and the enthalpies of the reversible phase transitions, crystal reversible arrow SmC reversible arrow S(m)A reversible arrow melt and crystal reversible arrow S(m)A reversible arrow melt, for linear and cyclic LC otganosiloxanes, respectively, were determined. Models of molecular packing in the S(m)A and SmC* phases were proposed based on X-ray diffraction data. A specific feature of the S(m)A phases of new LC organosiloxanes is a negative gradient of the temperature dependence of the interlayer spacing.

  DOI：

  10.1023/a:1025609613210
• 作为产物：
  描述：

  10-十一碳烯基氯酸 在 platinum⁽⁰⁾-1,3-divinyl-1,1,3,3-tetramethyldisiloxane 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 (4'-cyanobiphenyl-4-yl) 11-(dimethylchlorosilyl)undecanoate
  参考文献：
  名称：

  摘要：

  Liquid crystalline (LC) organosiloxanes with two terminal cyanobiphenylyl groups at tached to a linear or cyclic siloxane center through an aliphatic spacer (CH2)(n) with n=10 synthesized. The ability of compounds to pass into the LC state was confirmed by thermooptical, X-ray diffraction, and calorimetric measurements. The temperatures and the enthalpies of phase transitions were determined. The types of LC structures and the capability of one compound for polymesomorphism to form the chiral SmC* phase without a chiral center in the mesogenic group were established. The temperatures and the enthalpies of the reversible phase transitions, crystal reversible arrow SmC reversible arrow S(m)A reversible arrow melt and crystal reversible arrow S(m)A reversible arrow melt, for linear and cyclic LC otganosiloxanes, respectively, were determined. Models of molecular packing in the S(m)A and SmC* phases were proposed based on X-ray diffraction data. A specific feature of the S(m)A phases of new LC organosiloxanes is a negative gradient of the temperature dependence of the interlayer spacing.

  DOI：

  10.1023/a:1025609613210