2,2',4,4'-Tetrachlor-β-truxinsaeure | 90319-93-0

• 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: 2,2',4,4'-Tetrachlor-β-truxinsaeure
• 英文别名: (1S,2R,3S,4R)-3,4-bis(2,4-dichlorophenyl)cyclobutane-1,2-dicarboxylic acid
• CAS: 90319-93-0
• 化学式: C₁₈H₁₂Cl₄O₄
• 分子量: 434.103
• InChiKey: SUKCNYXWYLRRMK-SYMSYNOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  反-2,4-二氯肉桂酸 以 solid 为溶剂， 生成 2,2',4,4'-Tetrachlor-β-truxinsaeure
  参考文献：
  名称：

  Molecular discrimination in the formation of mixed crystals of some substituted chlorocinnamic acids

  摘要：

  DOI：

  10.1021/ja00270a069

文献信息

• Crystal engineering via Cl ⋯ Cl non-bonded interactions. The novel 2 : 1 complex, 6-chloro-3,4-(methylenedioxy)cinnamic acid–2,4-dichlorocinnamic acid. Topochemical conversion into an unsymmetrical cyclobutane and kinetics of the reaction
  作者：Jagarlapudi A. R. P. Sarma、Gautam R. Desiraju

  DOI：10.1039/c39840000145

  日期：——

  Two chloro-subsitituted cinnamic acids have been induced to co-crystallise as a molecular complex which is converted, at different rates, into an unsymmetrical and two symmetrical cyclobutanes during solid-state topochemical 2 + 2 photoaddition.

  两种氯取代的肉桂酸已被诱导共结晶为分子复合物，在固态拓扑化学2 + 2光加成过程中以不同的速率转化为不对称和两个对称的环丁烷。
• The Interaction of Cinnamic Acids with ⁶⁰Co Gamma Radiation
  作者：Jeffrey M. Njus、Chantana Sae-Lim、Daniel J. Sandman

  DOI：10.1080/15421400600786330

  日期：2006.10.1

  In the interest of expanding our knowledge of the interaction of cinnamic acid and its derivatives with ionizing radiation, (E)-cinnamic acid and several of its chlorinated and brominated derivatives were exposed to Co-60 gamma radiation. Dimer yields were estimated from integration of the proton NMR signals of the irradiated material. (E)-Cinnamic acid itself is relatively unreactive. The largest yield of dimer was obtained with p-bromocinnamic acid where exposure to a dose of 116 megarads led to a 24% yield.
• Large Molecular Motions Are Tolerated in Crystals of Diamine Double Salt of <i>trans</i>-Chlorocinnamic Acids with <i>trans</i>-1,2-Diaminocyclohexane
  作者：Arunkumar Natarajan、Joel T. Mague、K. Venkatesan、V. Ramamurthy

  DOI：10.1021/ol050330u

  日期：2005.5.1

  [GRAPHICS]Contrary to the general assumption that photoreactions in crystals may not proceed with large molecular motions, a pedal-like motion prompted by electronic excitation is believed to be involved during the beta-dimer formation from the crystals of the diamine double salt of trans-2,4-dichlorocinnamic acid and trans-1,2-diaminocyclohexane.