β,β'-Dichlor-t-butylbenzol | 4850-86-6

• 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: β,β'-Dichlor-t-butylbenzol
• 英文别名: 1,1-Dichlor-2-methyl-2-phenylpropan；β,β-Dichlor-tert-butyl-benzol；(2,2-Dichloro-1,1-dimethylethyl)benzene；(1,1-dichloro-2-methylpropan-2-yl)benzene
• CAS: 4850-86-6
• 化学式: C₁₀H₁₂Cl₂
• 分子量: 203.111
• InChiKey: VVYFPSUFHNURTK-UHFFFAOYSA-N

物化性质

• 沸点：
  113 °C(Press: 4 Torr)
• 密度：
  1.1686 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  β,β'-Dichlor-t-butylbenzol 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以5.5%的产率得到2-甲基-1-苯基丙烯
  参考文献：
  名称：

  Mechanistic Study of the Reactions of 1,1-Dihalo-2-methyl-2-phenylpropanes with LDA. Evidence for Radical and Carbene Pathways

  摘要：

  An attempt was made to determine the mechanisms involved in the reactions of the model systems 1,1-dichloro-2-methyl-2-phenylpropane (1) and 1,1-diiodo-2-methyl-2-phenylpropane (2) with LDA. These systems were chosen as ones capable of providing evidence for the formation of radical as well as carbene products. The techniques employed in investigating the mechanistic features of these reactions involved studying the effect of the leaving group, the effect of radical and carbene trapping agents on the product distribution, and isotopic tracer experiments using labeled solvent (THF-d(8)) and nucleophile (LDA-d(2)). The major product of the reaction of the geminal dichloride (1) is thought to be derived from a chlorocarbene, whereas the geminal diiodide (2) appears to form products derived from both carbene and radical intermediates. On the basis of the results of radical trapping experiments and those of deuterium-labeling experiments, evidence is presented to support the notion that products A, E, and H are derived from a radical precursor. In addition, products A and H are also believed to be formed from the vinylic halide D (or B) and the monoiodide E, respectively. Reasonable mechanisms for the formation of the other products formed in these reactions have been proposed on the basis of the available data.

  DOI：

  10.1021/jo951299k
• 作为产物：
  描述：

  1,1-dichloro-2-hydroxy-2-methylpropane 在 硫酸 作用下， 生成 β,β'-Dichlor-t-butylbenzol
  参考文献：
  名称：

  Study of microplasticity in 304L stainless steel

  摘要：

  钢材微观结构的不连续性会导致应力集中。微塑性是存在于这些应力集中处的局部塑性，而材料的其余部分则处于弹性区域。微塑性阈值是存在微塑性的单轴加载额定应力。在疲劳试验过程中，304 L 不锈钢的微塑性阈值是通过测量温度变化、滞后环得出的信息以及观察抛光试样表面的微观结构确定的。所研究材料的微塑性临界值在 60 至 75 兆帕之间。

  DOI：

  10.1051/metal:2002181

文献信息

• Halomethyl metal compounds. XXXII. Insertion of phenyl (bromodichloromethyl)mercury-derived dichlorocarbene into carbon-hydrogen bonds. Alkanes and alkylbenzenes
  作者：Dietmar Seyferth、James M. Burlitch、Keiji Yamamoto、Stephen S. Washburne、C. James Attridge

  DOI：10.1021/jo00831a059

  日期：1970.6
• Weyerstahl,P. et al., Chemische Berichte, 1967, vol. 100, p. 1858 - 1869
  作者：Weyerstahl,P. et al.

  DOI：——

  日期：——
• Goh,S.-H. et al., Australian Journal of Chemistry, 1975, vol. 28, p. 381 - 384
  作者：Goh,S.-H. et al.

  DOI：——

  日期：——
• Halomethyl-metal compounds. LXIII. Insertion of phenyl(bromodichloromethyl)mercury-derived dichlorocarbene into benzylic carbon-hydrogen bonds. Stereochemistry and mechanism
  作者：Dietmar. Seyferth、Ying Ming. Cheng

  DOI：10.1021/ja00801a039

  日期：1973.10
• CH-insertion von dichlorcarben aus wässriger natronlauge, chloroform und triäthylbenzylammoniumchlorid
  作者：E.V. Dehmlow

  DOI：10.1016/s0040-4020(01)98135-9

  日期：1971.1