n-hexylbenzyl sulfoxide | 2168-99-2

• 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: n-hexylbenzyl sulfoxide
• 英文别名: hexyl benzyl sulfoxide；benzyl-hexyl sulfoxide；Benzyl-hexyl-sulfoxid；Benzene, [(hexylsulfinyl)methyl]-；hexylsulfinylmethylbenzene
• CAS: 2168-99-2
• 化学式: C₁₃H₂₀OS
• 分子量: 224.367
• InChiKey: PHCIFWWBMFKHLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  n-hexylbenzyl sulfoxide 、 1,3-丁二烯 在 bis(acetylacetonate)nickel(II) 、 三乙基铝 、 三苯基膦 作用下， 以 甲苯 为溶剂， 反应 12.0h， 生成 6-phenyl-5,6-dihydro-2H-thiopyran 、 2-n-pentyl-3,6-dihydro-2H-thiapyran
  参考文献：
  名称：

  Metal complex-catalyzed synthesis of dihydrothiapyrans from dialkyl sulfoxides and 1,3-dienes

  摘要：

  A preparative method has been developed for the synthesis of dihydrothiapyrans from dialkyl sulfoxides and 1,3-dienes, catalyzed by palladium and nickel complexes. The scope of this reaction has been assessed, and a mechanism proposed, using 1,3-dienes and sulfoxides of varying structure.

  DOI：

  10.1007/bf00863928
• 作为产物：
  描述：

  1-氯己烷 在 双氧水 、 丙酮 作用下， 生成 n-hexylbenzyl sulfoxide
  参考文献：
  名称：

  Ostrowski; Lesnianski, Roczniki Chemii, 1956, vol. 30, p. 981

  摘要：

  DOI：

文献信息

• Laccase-TEMPO as an efficient catalyst system for metal- and halogen-free aerobic oxidation of thioethers to sulfoxides in aqueous media at ambient conditions
  作者：Amin Rostami、Behnaz Mohammadi、Zahra Shokri、Shaghayegh Saadati

  DOI：10.1016/j.catcom.2018.03.032

  日期：2018.6

  We present for the first time an eco-friendly procedure for the aerobic oxidation of thioethers to sulfoxides using laccase-TEMPO catalyst system. This catalyst system allows for simpler (easy work-up) and greener methodologies (room temperature, phosphate buffer) while keeping high reaction yields and selectivity. This work is superior to others due to free from any transition metal and halide co-catalysts.
• β-Sulfinyl acrylate esters as a convenient source of alkane- and arenesulfenate anions
  作者：Jennifer S. O'Donnell、Adrian L. Schwan

  DOI：10.1016/s0040-4039(03)01521-1

  日期：2003.8

  Methyl acrylate esters bearing alkane- and arenesulfinyl units on the 2-carbon liberate sulfenate anions upon nucleophilic attack. The sulfenates are readily captured through sulfur alkylation. When a sulfenate derived from R-cysteine is generated, diastereoselective benzylation is observed. (C) 2003 Elsevier Ltd. All rights reserved.
• Metal complex-catalyzed synthesis of dihydrothiapyrans from dialkyl sulfoxides and 1,3-dienes
  作者：U. M. Dzhemilev、R. V. Kunakova、N. Z. Baibulatova、A. E. Tarasenko、�. M. Mustafina

  DOI：10.1007/bf00863928

  日期：1992.1

  A preparative method has been developed for the synthesis of dihydrothiapyrans from dialkyl sulfoxides and 1,3-dienes, catalyzed by palladium and nickel complexes. The scope of this reaction has been assessed, and a mechanism proposed, using 1,3-dienes and sulfoxides of varying structure.
• Ostrowski; Lesnianski, Roczniki Chemii, 1956, vol. 30, p. 981
  作者：Ostrowski、Lesnianski

  DOI：——

  日期：——