3-(4-nitro-phenyl)-butyryl chloride | 103122-47-0

• 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: 3-(4-nitro-phenyl)-butyryl chloride
• 英文别名: β-(4-Nitro-phenyl)-buttersaeurechlorid；3-(4-Nitro-phenyl)-butyrylchlorid
• CAS: 103122-47-0
• 化学式: C₁₀H₁₀ClNO₃
• 分子量: 227.647
• InChiKey: DUFMMMWMGIIBBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  60.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(4-nitro-phenyl)-butyryl chloride 在 TEA 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(4-Nitro-phenyl)-butyric acid 4-(4-dodecyloxy-phenyl-NNO-azoxy)-phenyl ester
  参考文献：
  名称：

  Mesogenic properties of liquid crystals having a chiral semiflexible joint

  摘要：

  Two homologous series of mesogenic enantiomers with chiral semiflexible joint, -C*H(CH3)CH2COO-, are examined High twist power and presence of blue phases with short lattice period are found for eleven examined compounds. Some effects of chirality in reentrant system are discussed. On phase diagram of enantiomers the SmA(d) phase area is shifted toward longer homologues as compared to racemates. In result, an island of the SmA(d) phase in the cholesteric sea exists on binary phase diagrams of R- and S-enantiomers. Triple divergence of the pitch in the cholesteric phase of a pure compound is observed.

  DOI：

  10.1080/10587259408038653
• 作为产物：
  描述：

  (+/-)-3-苯基丁酸 在 氯化亚砜 、 硫酸 、 硝酸 作用下， 生成 3-(4-nitro-phenyl)-butyryl chloride
  参考文献：
  名称：

  Mesogenic properties of liquid crystals having a chiral semiflexible joint

  摘要：

  Two homologous series of mesogenic enantiomers with chiral semiflexible joint, -C*H(CH3)CH2COO-, are examined High twist power and presence of blue phases with short lattice period are found for eleven examined compounds. Some effects of chirality in reentrant system are discussed. On phase diagram of enantiomers the SmA(d) phase area is shifted toward longer homologues as compared to racemates. In result, an island of the SmA(d) phase in the cholesteric sea exists on binary phase diagrams of R- and S-enantiomers. Triple divergence of the pitch in the cholesteric phase of a pure compound is observed.

  DOI：

  10.1080/10587259408038653

文献信息

• v. Braun; Heider, Chemische Berichte, 1916, vol. 49, p. 1277
  作者：v. Braun、Heider

  DOI：——

  日期：——