6-phenoxyhexyl methanesulfonate | 63649-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-phenoxyhexyl methanesulfonate
• 英文别名: 6-(phenoxy)-1-hexanol O-methanesulfonate
• CAS: 63649-95-6
• 化学式: C₁₃H₂₀O₄S
• 分子量: 272.365
• InChiKey: UKKCWEXFTCUHHL-UHFFFAOYSA-N

物化性质

• 沸点：
  433.7±28.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-phenoxyhexyl methanesulfonate 在 lithium bromide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以76.3%的产率得到6-苯氧基己基溴
  参考文献：
  名称：

  Zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers

  摘要：

  Four zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers have been synthesized and characterized by spectroscopic methods and HR-MS or elemental analysis. The solid state structure of bis[{6-(2,6-dimethylphenoxy)hexyl}cyclopentadienyl]zirconium dichloride was determined by single crystal X-ray diffraction. The prepared complexes were tested as catalyst precursors in the polymerization of ethylene upon activation with MAO. The results showed a marked effect of the spacer length on the catalytic activity, while only a minor effect of the substitution on the aryl group, which affected its steric properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.066
• 作为产物：
  描述：

  6-氯-1-己醇 在 三乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 43.34h， 生成 6-phenoxyhexyl methanesulfonate
  参考文献：
  名称：

  Zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers

  摘要：

  Four zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers have been synthesized and characterized by spectroscopic methods and HR-MS or elemental analysis. The solid state structure of bis[{6-(2,6-dimethylphenoxy)hexyl}cyclopentadienyl]zirconium dichloride was determined by single crystal X-ray diffraction. The prepared complexes were tested as catalyst precursors in the polymerization of ethylene upon activation with MAO. The results showed a marked effect of the spacer length on the catalytic activity, while only a minor effect of the substitution on the aryl group, which affected its steric properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.066

文献信息

• Method of treating lipidemia with aryloxyalkylaminobenzoic acids and
  申请人：American Cyanamid Company

  公开号：US04182776A1

  公开（公告）日：1980-01-08

  Aryloxyalkylaminobenzoic acids and esters as hypolipemic compounds.

  芳氧烷基氨基苯甲酸和酯作为降脂化合物。
• Nickel-Catalyzed Cyanation of Unactivated Alkyl Sulfonates with Zn(CN)₂
  作者：Aiyou Xia、Peizhuo Lv、Xin Xie、Yuanhong Liu

  DOI：10.1021/acs.orglett.0c02722

  日期：2020.10.16

  Cyanation of unactivated primary and secondary alkyl mesylates with Zn(CN)2 catalyzed by nickel has been developed. The reaction provides an efficient route for the synthesis of alkyl nitriles with wide substrate scope, good functional group tolerance, and compatibility with heterocyclic compounds. Mechanistic studies indicate that alkyl iodide generated in situ serves as the reactive intermediate

  已经开发了用镍催化的Zn（CN）2氰化未活化的伯和仲烷基甲磺酸酯。该反应提供了一种合成烷基腈的有效途径，该烷基腈具有广泛的底物范围，良好的官能团耐受性以及与杂环化合物的相容性。机理研究表明，原位生成的烷基碘是反应性中间体，烷基碘的逐步释放对于反应的成功至关重要。