2,2,6,6-四甲基-4-[1-氧代-6-（三乙铵）己氨基]-1-哌啶基氧基溴化物 | 762245-84-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,2,6,6-四甲基-4-[1-氧代-6-（三乙铵）己氨基]-1-哌啶基氧基溴化物
• 英文名称: triethyl[5-(2,2,6,6-tetramethylpiperidine-1-oxyl-4-yl-carbamoyl)pentyl]ammonium bromide
• 英文别名: WS-TEMPO；2,2,6,6-TEtramethyl-4-[1-oxo-6-(triethylammonio)hexylamino]-1-piperidinyloxy bromide
• CAS: 762245-84-1
• 化学式: Br*C₂₁H₄₃N₃O₂
• 分子量: 449.495
• InChiKey: NEQWUIVYFXHUMV-UHFFFAOYSA-N

物化性质

• 熔点：
  216-221°C (decomposition)

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  33.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  6-溴己酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 2,2,6,6-四甲基-4-[1-氧代-6-（三乙铵）己氨基]-1-哌啶基氧基溴化物
  参考文献：
  名称：

  Water-soluble N-oxyl compounds-mediated electrooxidation of alcohols in water: a prominent access to a totally closed system

  摘要：

  Electrooxidation of alcohols in water involving water-soluble N-oxyl compounds (WS-TEMPOs) proceeded smoothly to afford the corresponding ketones and aldehydes in good yields. Notably, most of WS-TEMPOs in water remained intact after the electrolysis. The aqueous solution containing WS-TEMPOs was recovered easily and repeatedly used for the electrooxidation of alcohols, offering a totally closed system. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.114

文献信息

• Electroorganic synthesis in oil-in-water (O/W) nanoemulsion: TEMPO-mediated electrooxidation of amphiphilic alcohols in water
  作者：Manabu Kuroboshi、Tomonori Yoshida、Jun Oshitani、Kuniaki Goto、Hideo Tanaka

  DOI：10.1016/j.tet.2009.06.005

  日期：2009.8

  Oil-in-water nanoemulsion which consisted of TEMPO, amphiphilic alcohols, and water offered unique reaction environments for electrooxidation of the alcohols to give the corresponding carboxylic acids in good to excellent yields. (c) 2009 Elsevier Ltd. All rights reserved.
• Water-soluble N-oxyl compounds-mediated electrooxidation of alcohols in water: a prominent access to a totally closed system
  作者：Jun Kubota、Yusuke Shimizu、Koichi Mitsudo、Hideo Tanaka

  DOI：10.1016/j.tetlet.2005.10.114

  日期：2005.12

  Electrooxidation of alcohols in water involving water-soluble N-oxyl compounds (WS-TEMPOs) proceeded smoothly to afford the corresponding ketones and aldehydes in good yields. Notably, most of WS-TEMPOs in water remained intact after the electrolysis. The aqueous solution containing WS-TEMPOs was recovered easily and repeatedly used for the electrooxidation of alcohols, offering a totally closed system. (c) 2005 Elsevier Ltd. All rights reserved.