2,2-bis(4-methoxyphenyl)-1,1,1-tribromoethane | 88837-72-3

• 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-bis(4-methoxyphenyl)-1,1,1-tribromoethane
• 英文别名: 1,1,1-Tribrom-2,2-di-(p-methoxy-phenyl)-ethan；1,1,1-tribromo-2,2-bis-(4-methoxy-phenyl)-ethane；1,1,1-Tribrom-2,2-bis-(4-methoxy-phenyl)-aethan；1-Methoxy-4-[2,2,2-tribromo-1-(4-methoxyphenyl)ethyl]benzene
• CAS: 88837-72-3
• 化学式: C₁₆H₁₅Br₃O₂
• 分子量: 479.006
• InChiKey: SGCRYQAPFIPRTF-UHFFFAOYSA-N

物化性质

• 熔点：
  113 °C(Solv: ethanol (64-17-5))
• 沸点：
  421.2±45.0 °C(Predicted)
• 密度：
  1.750±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-bis(4-methoxyphenyl)-1,1,1-tribromoethane 在 氢氧化钾 、 sodium ethanolate 作用下， 生成 林可霉素 2,7-二乙酸酯
  参考文献：
  名称：

  Harris; Frankforter, Journal of the American Chemical Society, 1926, vol. 48, p. 3148

  摘要：

  DOI：
• 作为产物：
  描述：

  三溴乙醛 、 苯甲醚 在 硫酸 、 溶剂黄146 作用下， 生成 2,2-bis(4-methoxyphenyl)-1,1,1-tribromoethane
  参考文献：
  名称：

  Nanoindentation and adhesion of sol-gel-derived hard coatings on polyester

  摘要：

  我们研究了改性聚酯基底上的溶胶-凝胶衍生二氧化硅硬涂层。通过加入有机成分和过渡金属氧化物，对二氧化硅网络进行了改性。这些改性使涂层具有量身定制的热学、光学和机械性能。研究了各种低温致密化技术，包括溶胶制备程序、增强溶剂蒸发、紫外线照射和低温加热（低于 150 °C）。为了提高溶胶-凝胶涂层在塑料表面的附着力，还采用了氧等离子刻蚀技术。纳米压痕分析表明，涂层的表面硬度高达 2.5 ± 0.27 GPa，弹性模量高达 13.6 ± 0.4 GPa，比塑料表面高出约一个数量级。

  DOI：

  10.1557/jmr.2000.0025

文献信息

• The Nitration of Some 1,1,1-Trihalogeno-2,2-bisarylethanes
  作者：David A. Shirley、Theodore N. Goreau

  DOI：10.1021/ja01163a069

  日期：1950.7
• Bisphenol AF: Halogen bonding effect is a major driving force for the dual ERα-agonist and ERβ-antagonist activities
  作者：Xiaohui Liu、Keitaro Suyama、Junichi Shiki、Kohei Torikai、Takeru Nose、Miki Shimohigashi、Yasuyuki Shimohigashi

  DOI：10.1016/j.bmc.2019.115274

  日期：2020.2

  17 beta-Estradiol (E2) is a natural steroid ligand for the structurally and physiologically independent estrogen receptors (ERs) ER alpha and ER beta. We recently observed that CF3-containing bisphenol AF (BPAF) works as an agonist for ERa but as an antagonist for ER beta. Similar results were also observed for the CCl3-containing bisphenol designated as HPTE. Both BPAF and HPTE are comprised of a tri-halogenated methyl group in the central alkyl moiety of their bisphenol structures, which strongly suggests that halogens contribute directly to the agonist/antagonist dual biological functions. We conducted this study to investigate the structure-activity relationships by assessing together newly synthesized CF3- and CBr3-containing bisphenol E analogs (BPE-X). We first tested bisphenols for their receptor binding ability and then for their transcriptional activities. Halogen-containing bisphenols were found to be fully active for ER alpha, but almost completely inactive for ER beta. When we examined these bisphenols for their inhibitory activities for E2 in ER beta, we observed that they worked as distinct antagonists. The ascending order of agonist/antagonist dual biological functions was BPE-F < BPE-Cl (HPTE) <= BPAF < BPE-Br, demonstrating that the electrostatic halogen bonding effect is a major driving force of the bifunctional ER alpha agonist and ER beta antagonist activities of BPAF.
• Brand; Kercher, Chemische Berichte, 1921, vol. 54, p. 2009
  作者：Brand、Kercher

  DOI：——

  日期：——
• Nanoindentation and adhesion of sol-gel-derived hard coatings on polyester
  作者：C. M. Chan、G. Z. Cao、H. Fong、M. Sarikaya、T. Robinson、L. Nelson

  DOI：10.1557/jmr.2000.0025

  日期：2000.1

  We investigated sol-gel-derived silica-based hard coatings on modified polyester substrates. The silica network was modified by incorporating an organic component and adding transition metal oxides. These modifications resulted in tailored thermal, optical, and mechanical properties of the coatings. Various low-temperature densification techniques were studied including sol-preparation procedure, enhanced solvent evaporation, ultraviolet irradiation, and low-temperature heating (below 150 °C). Oxygen plasma etching was applied to improve the adhesion of the sol-gel coatings on the plastic surface. Nanoindentation analysis revealed that the coatings have a surface hardness up to 2.5 ± 0.27 GPa and an elastic modulus up to 13.6 ± 0.4 GPa, approximately an order of magnitude higher than that of the plastic surface.

  我们研究了改性聚酯基底上的溶胶-凝胶衍生二氧化硅硬涂层。通过加入有机成分和过渡金属氧化物，对二氧化硅网络进行了改性。这些改性使涂层具有量身定制的热学、光学和机械性能。研究了各种低温致密化技术，包括溶胶制备程序、增强溶剂蒸发、紫外线照射和低温加热（低于 150 °C）。为了提高溶胶-凝胶涂层在塑料表面的附着力，还采用了氧等离子刻蚀技术。纳米压痕分析表明，涂层的表面硬度高达 2.5 ± 0.27 GPa，弹性模量高达 13.6 ± 0.4 GPa，比塑料表面高出约一个数量级。
• Harris; Frankforter, Journal of the American Chemical Society, 1926, vol. 48, p. 3148
  作者：Harris、Frankforter

  DOI：——

  日期：——