2-phenylthietane 1,1-dioxide | 67966-89-6

• 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: 2-phenylthietane 1,1-dioxide
• CAS: 67966-89-6
• 化学式: C₉H₁₀O₂S
• 分子量: 182.243
• InChiKey: PUXWVPLQZRVNJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-phenylthietane 1,1-dioxide 以95%的产率得到
  参考文献：
  名称：

  FINLAY J. D.; SMITH D. J. H.; DURAT T., SYNTHESIS, 1978, NO 8, 579-580

  摘要：

  DOI：
• 作为产物：
  描述：

  (1,3-二溴丙基)苯 在 双氧水 、 potassium hydrosulfide 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 10.0h， 生成 2-phenylthietane 1,1-dioxide
  参考文献：
  名称：

  Synthesis of 2-alkyl(aryl)thietanes

  摘要：

  Thietane and its 2-substituted derivatives were synthesized. A general preparation procedure for the synthesis of thietanes bearing alkyl and aryl substituents in the (x-position was developed. Using this procedure, 2-substituted thietanes can be obtained from cheap and easily accessible raw materials in three steps. 2-R-Thietanes (where R = H, CH3, C4H9,C5H11,C6H13,C6H5) and the corresponding sulfoxides and sulfones were synthesized and examined. Intermediate and by-products of the synthesis were studied.

  DOI：

  10.1134/s0965544107020089

文献信息

• A greener and efficient access to substituted four- and six-membered sulfur-bearing heterocycles
  作者：Giovanna Parisi、Leonardo Degennaro、Claudia Carlucci、Modesto de Candia、Piero Mastrorilli、Alexander Roller、Wolfgang Holzer、Cosimo Damiano Altomare、Vittorio Pace、Renzo Luisi

  DOI：10.1039/c7ob00846e

  日期：——

  The regioselective functionalization of four- and six-membered cyclic sulfones was investigated using a lithiation/electrophile trapping strategy. The protocol features an interesting eco-compatibility profile because of the use of 2-MeTHF as a solvent (more eco-friendly than other organic solvents) and n-hexyllithium as a lithiating agent safer than other alkyllithium compounds. Several derivatives

  使用锂化/亲电子捕获策略研究了四元和六元环砜的区域选择性官能化。该协议具有有趣的生态相容性，因为使用2-MeTHF作为溶剂（比其他有机溶剂更环保）和使用正己基锂作为锂化剂比其他烷基锂化合物更安全。制备了几种具有不同立体化学和取代模式的衍生物。通过RP-HPLC表征了许多选定的衍生物，其跨度为5 log P单位，具有亲脂性。试验确定RP-HPLC亲脂性参数之间观察到良好的线性关系，具有斜率接近1.0，被（日志ķ '瓦特）和计算出的log P（clog P）值，而色谱参数和硅胶亲油性描述子之间的绝对值之间的系统性差异主要归因于H键受体SO 2基团与二氧化硅上的游离硅烷醇基团之间的亲硅相互作用。基于C18的C18色谱柱，这会增加保留时间。
• El-Zohry, Maher F.; El-Khawaga, Ahmed M.; Abdel-Wahab, Aboel-Magd A., Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 59, # 1-4, p. 149 - 152
  作者：El-Zohry, Maher F.、El-Khawaga, Ahmed M.、Abdel-Wahab, Aboel-Magd A.

  DOI：——

  日期：——
• EL-ZOHRY, MAHER F.;EL-KHAWAGA, AHMED M.;ABDEL-WAHAB, ABOEL-MAGD A., PHOSPH., SULFUR AND SILICON AND RELAT. ELEM., 58-59,(1991) N-4, C. 149-15+
  作者：EL-ZOHRY, MAHER F.、EL-KHAWAGA, AHMED M.、ABDEL-WAHAB, ABOEL-MAGD A.

  DOI：——

  日期：——
• Synthesis of 2-alkyl(aryl)thietanes
  作者：N. P. Volynskii、S. E. Shevchenko

  DOI：10.1134/s0965544107020089

  日期：2007.3

  Thietane and its 2-substituted derivatives were synthesized. A general preparation procedure for the synthesis of thietanes bearing alkyl and aryl substituents in the (x-position was developed. Using this procedure, 2-substituted thietanes can be obtained from cheap and easily accessible raw materials in three steps. 2-R-Thietanes (where R = H, CH3, C4H9,C5H11,C6H13,C6H5) and the corresponding sulfoxides and sulfones were synthesized and examined. Intermediate and by-products of the synthesis were studied.
• FINLAY J. D.; SMITH D. J. H.; DURAT T., SYNTHESIS, 1978, NO 8, 579-580
  作者：FINLAY J. D.、 SMITH D. J. H.、 DURAT T.

  DOI：——

  日期：——