Benzolsulfonsaeure-(1-methyl-heptylester) | 786-30-1

• 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: Benzolsulfonsaeure-(1-methyl-heptylester)
• 英文别名: 1-Methylheptylbenzolsulfonat；2-Octyl-benzolsulfonat；Octan-2-yl benzenesulfonate
• CAS: 786-30-1
• 化学式: C₁₄H₂₂O₃S
• 分子量: 270.393
• InChiKey: BRGBXEYUKCDBJN-UHFFFAOYSA-N

物化性质

• 沸点：
  367.6±11.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酰乙酸甲酯 、 Benzolsulfonsaeure-(1-methyl-heptylester) 生成 3-(2-oxyoctyl)crotonsaeuremethylester
  参考文献：
  名称：

  BRAM, G.;CABARET, D.;DINCAN, E.;MAIGROT, N.;WELVART, Z., J. CHEM. RES. SYNOP., 1982, N 3, 86-87

  摘要：

  DOI：
• 作为产物：
  描述：

  仲辛醇 、 对甲苯磺酰氯 在 三甲胺盐酸盐 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 Benzolsulfonsaeure-(1-methyl-heptylester)
  参考文献：
  名称：

  p-Cymenesulphonyl Chloride: A Bio-Based Activating Group and Protecting Group for Greener Organic Synthesis

  摘要：

  A bio-derived protecting/activating group has been synthesized by introducing a sulphonyl chloride group to the aromatic ring of p-cymene derived from citrus peel waste. The resulting p-cymenesulphonyl chloride was evaluated as an activating group by reacting with 1-octanol, 2-octanol, phenol and piperidine, and further reactions of the activated alcohols. The comparison to tosyl chloride demonstrates that the bio-based alternative can be effectively utilized as a direct replacement for the current fossil derived equivalent.

  DOI：

  10.5935/0103-5053.20150169

文献信息

• ZnO and ZnO-nanoparticles: Efficient and reusable heterogeneous catalysts for one-pot synthesis of N-acylsulfonamides and sulfonate esters
  作者：Fatemeh Tamaddon、Mohammad Reza Sabeti、Abbas Ali Jafari、Farhang Tirgir、Elham Keshavarz

  DOI：10.1016/j.molcata.2011.09.010

  日期：2011.12

  Commercially available and preparative ZnO nanoparticles are reported as efficient and reusable catalysts for the chemoselective synthesis of N-acylsulfonamides and sulfonate esters. A one-pot sequential sulfonylation and acylation of amines took place to afford the N-acylsulfonamides in excellent yields under solvent-free conditions. The ZnO catalyst can be reused for without significant loss of catalytic activity. (C) 2011 Elsevier B.V. All rights reserved.
• <i>p</i>-Cymenesulphonyl Chloride: A Bio-Based Activating Group and Protecting Group for Greener Organic Synthesis
  作者：Thomas J. Farmer、James H. Clark、Maite L. Gothe、Duncan J. Macquarrie、James Sherwood

  DOI：10.5935/0103-5053.20150169

  日期：——

  A bio-derived protecting/activating group has been synthesized by introducing a sulphonyl chloride group to the aromatic ring of p-cymene derived from citrus peel waste. The resulting p-cymenesulphonyl chloride was evaluated as an activating group by reacting with 1-octanol, 2-octanol, phenol and piperidine, and further reactions of the activated alcohols. The comparison to tosyl chloride demonstrates that the bio-based alternative can be effectively utilized as a direct replacement for the current fossil derived equivalent.
• BRAM, G.;CABARET, D.;DINCAN, E.;MAIGROT, N.;WELVART, Z., J. CHEM. RES. SYNOP., 1982, N 3, 86-87
  作者：BRAM, G.、CABARET, D.、DINCAN, E.、MAIGROT, N.、WELVART, Z.

  DOI：——

  日期：——