p,p'-dicarbethoxydiphenyl sulphone | 47424-13-5

• 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: p,p'-dicarbethoxydiphenyl sulphone
• 英文别名: p,p'-dicarbethoxydiphenyl sulfone；diethyl 4,4'-sulfonyldibenzoate；4,4'-sulfonyl-di-benzoic acid diethyl ester；4,4'-Sulfonyl-di-benzoesaeure-diaethylester；Diphenylsulfon-dicarbonsaeure-(4.4')-diaethylester；Bis-(4-aethoxycarbonyl-phenyl)-sulfon；Ethyl 4-(4-ethoxycarbonylphenyl)sulfonylbenzoate
• CAS: 47424-13-5
• 化学式: C₁₈H₁₈O₆S
• 分子量: 362.403
• InChiKey: ZRBHUPIUIBNIDS-UHFFFAOYSA-N

物化性质

• 熔点：
  157-159 °C(Solv: ethanol (64-17-5))
• 沸点：
  523.1±35.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  95.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  p,p'-dicarbethoxydiphenyl sulphone 在 一水合肼 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 2,2'-((sulfonylbis(4,1-phenylene))bis(1,3,4-oxadiazole-5,2-diyl))diphenol
  参考文献：
  名称：

  Patel; Patolia; Baxi, Journal of the Indian Chemical Society, 1990, vol. 67, # 7, p. 599 - 601

  摘要：

  DOI：
• 作为产物：
  描述：

  二对甲苯酰硫 在 chromium(VI) oxide 、 硫酸 、 溶剂黄146 作用下， 生成 p,p'-dicarbethoxydiphenyl sulphone
  参考文献：
  名称：

  Murahashi; Anzai, Kobunshi Kagaku, 1946, vol. 3, p. 33,39

  摘要：

  DOI：

文献信息

• A New V-Shaped Organic Fluorescent Compound Integrated with Crystallization-Induced Emission Enhancement and IntramolecularCharge Transfer
  作者：Pei-Yang Gu、You-Hao Zhang、Gao-Yan Liu、Jian-Feng Ge、Qing-Feng Xu、Qichun Zhang、Jian-Mei Lu

  DOI：10.1002/asia.201300331

  日期：2013.9

  The emission behavior of a new V‐shaped organic fluorescent compound (p,p′‐bis(2‐aryl‐1,3,4‐oxadiazol‐5‐yl)diphenyl sulfone (OZA-SO), consisting of diethylamino (donor) and sulfone (acceptor) units, has been studied in various polar solvents and with different morphologies. As expected, there is the gradual transition from the locally excited state to the intramolecular charge‐transfer (ICT) state

  新型V形有机荧光化合物（p，p'-双（2-芳基-1,3,4-恶二唑-5基）二苯砜（OZA-SO）的发射行为，由二乙氨基（给体）组成在不同的极性溶剂中和形态不同的化合物中研究了磺基和砜（受体）单元，正如预期的那样，随着溶剂极性的增加，从局部激发态逐渐过渡到分子内电荷转移（ICT）态。由于ICT效应，OZA-SO的强度最初以低水分数（f w）降低，然后以高f w升高，由于结晶诱导的发射增强。同时，OZA-SO的荧光寿命从在二甲基甲酰胺（DMF）中的0.062 ns增加到在包含90％水的溶液中的5.80 ns，然后增加到在包含60％水的溶液中的7.49 ns。此外，由于形态变化，可通过发烟/研磨或发烟/加热将OZA-SO的固态排放从绿色逆转为黄色。OZA-SO的这种颜色可切换功能可能在光学记录和温度感应材料中具有潜在的应用。
• Sulfonylation of Bismuth Reagents with Sulfinates or SO₂ through Bi^III/Bi^V Intermediates
  作者：Fengqian Zhao、Xiao-Feng Wu

  DOI：10.1021/acs.organomet.1c00339

  日期：2021.8.9

  Under oxidative conditions, triarylbismuthines and sulfinates were transformed into diaryl sulfones. A transition-metal-like two-electron redox process at the Bi center was achieved in this reaction. Sulfur dioxide generated in situ can also replace sulfinates to deliver the corresponding symmetric diaryl sulfones. A rational mechanism for this reaction was also proposed that involves a Bi(III)–Bi(V)

  探索主族元素催化活性的研究很有吸引力。我们在此报告我们对铋试剂与亚磺酸盐或 SO 2替代物磺酰化的研究。在氧化条件下，三芳基铋和亚磺酸盐转化为二芳基砜。该反应在Bi中心实现了类似过渡金属的双电子氧化还原过程。原位生成的二氧化硫也可以替代亚磺酸盐以提供相应的对称二芳基砜。还提出了该反应的合理机制，涉及 Bi(III)-Bi(V) 流形。
• Kepner-Tregoe Decision Analysis as a Tool To Aid Route Selection. Part 2. Application to AZD7545, a PDK Inhibitor
  作者：Jonathan D. Moseley、David Brown、Catherine R. Firkin、Shelley L. Jenkin、Bharti Patel、Evan W. Snape

  DOI：10.1021/op800033c

  日期：2008.11.21

  Kepner-Tregoe decision analysis was formally used as an aid to route selection, as outlined in the preceding paper. Over 40 paper routes were assessed for suitability for both immediate and longer term manufacture of AZD7545, a compound in the early stages of development. Eight routes were then investigated in fall in the laboratory, and a further four in part, over a period of 3-4 months. From this exercise, the preferred long-term manufacturing route was identified before the first pilot scale manufacture had been completed. This route selection exercise worked well in this case where a large number of potential routes had to be considered using limited resources. It was also an effective means of bringing some long-term manufacturing issues to the fore at an early stage in development.
• THE IDENTIFICATION OF AROMATIC SULFONES
  作者：C. A. BUEHLER、JOHN E. MASTERS

  DOI：10.1021/jo01215a007

  日期：1939.7
• PATEL, PRAFUL K.;PATOLIA, V. N.;BAXI, A. J., J. INDIAN CHEM. SOC., 67,(1990) N, C. 599-601
  作者：PATEL, PRAFUL K.、PATOLIA, V. N.、BAXI, A. J.

  DOI：——

  日期：——