2,6-di-(tert-butyl)-4H-pyran-4-one | 55107-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2,6-di-(tert-butyl)-4H-pyran-4-one
• 英文别名: 2,6-Di-t-butyl-4h-pyran-4-one；2,6-ditert-butylpyran-4-one
• CAS: 55107-13-6
• 化学式: C₁₃H₂₀O₂
• 分子量: 208.301
• InChiKey: MTUPKGNTRSDPHM-UHFFFAOYSA-N

物化性质

• 熔点：
  77-79 °C
• 沸点：
  298.2±9.0 °C(Predicted)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-di-(tert-butyl)-4H-pyran-4-one 在 高氯酸 、 sodium acetate 、 magnesium 作用下， 以 乙醇 为溶剂， 反应 0.67h， 生成 Naphthalene-2-sulfonate2,6-di-tert-butyl-4-(3,5-dimethyl-phenyl)-pyranylium;
  参考文献：
  名称：

  Structure and Photophysical Properties of 2,6-Di-tert-Butyl-4-arylpyrylium 2-Naphthalenesulfonate Ion Pairs in Solution and in the Solid State

  摘要：

  2,6-Di-tert-butyl-4-arylpyrylium 2-naphthalenesulfonate salts form ion pairs in dimethylcarbonate solution that exhibit charge-transfer absorptions and result in the rapid quenching of the pyrylium fluorescence. Molecular mechanics calculations predict that these ion pairs exist in a T-shaped orientation, but X-ray structural analysis reveals a pi face-to-face arrangement in the solid state. Nuclear Overhauser effect and time-resolved spectroscopic experiments carried out in solution are consistent with a T-shape for the ion pair, but these experiments do not prove that this structural hypothesis is correct.

  DOI：

  10.1021/jo00084a033
• 作为产物：
  描述：

  特戊酰基乙酸乙酯 在 三氟甲磺酸酐 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 48.0h， 生成 2,6-di-(tert-butyl)-4H-pyran-4-one
  参考文献：
  名称：

  β-酮酸的脱羧缩合反应合成γ-吡喃酮

  摘要：

  摘要该手稿描述了由β-酮酸聚合合成芳基和烷基二取代的γ-吡喃酮。反应在三氟甲磺酸酐的存在下通过原料的空前的脱羧自动缩合而进行。在此，报道了这种转变的范围和局限性。 图形概要

  DOI：

  10.1007/s00706-016-1851-2

文献信息

• Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives
  作者：Yi-Feng Qiu、Fang Yang、Zi-Hang Qiu、Mei-Jin Zhong、Li-Jing Wang、Yu-Ying Ye、Bo Song、Yong-Min Liang

  DOI：10.1021/jo402055a

  日期：2013.12.6

  Brønsted acid catalyzed tandem cyclization was found to be highly effective for the preparation of a series of polysubstituted 4-pyrones from diynones (yield up to 99%). 4-Pyridone and 3-pyrrolone derivatives were also selectively synthesized by employing NIS and/or Brønsted acid. NIS as an electrophilic reagent could promote these reactions efficiently and rapidly under very mild reaction conditions

  发现布朗斯台德酸催化的串联环化对于从二炔酮制备一系列多取代的4-吡喃酮非常有效（收率高达99％）。还通过使用NIS和/或布朗斯台德酸选择性地合成了4-吡啶酮和3-吡咯烷酮衍生物。NIS作为亲电子试剂可以在非常温和的反应条件下有效而迅速地促进这些反应。
• CHARGE CONTROL AGENT AND RELATED ART
  申请人：Kuroda Kazuyoshi

  公开号：US20090053641A1

  公开（公告）日：2009-02-26

  [PROBLEMS] Providing a charge control agent that has a negative charge providing property at a practical level, is colorless to light-colored and usable in color toners, produces static charges stable to environmental changes by electrifying the resin powder of a toner and the like, is excellent in storage stability and durability, and is highly safe, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. [MEANS OF SOLVING THE PROBLEMS] A charge control agent having a compound represented by the formula shown below as the active ingredient, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. X: an oxygen atom or N—H; Each of R 1 to R 4 : a hydrogen atom, a carboxyl group, an aminocarbonyl group having or not having a substituent, an aminocarbonylmethyl group having or not having a substituent, an alkoxycarbonyl group, an alkyl group, a phenyl group having a substituent or not having a substituent, or a group that forms a saturated or unsaturated ring having or not having a substituent in cooperation with any other group selected from among R 1 to R 4 .

  [问题] 提供一种在实际水平上具有负电荷提供特性的充电控制剂，无色至浅色并可用于彩色调色剂，通过电化树脂粉末等产生稳定的静电荷，具有优异的储存稳定性和耐久性，并且非常安全，以及使用该充电控制剂控制树脂粉末电荷的方法和调色剂。 [解决问题的方法] 提供一种具有以下公式所示化合物作为活性成分的充电控制剂，以及使用该充电控制剂控制树脂粉末电荷的方法和调色剂。 X：氧原子或N-H； R1至R4中的每一个：氢原子，羧基，具有或不具有取代基的氨基羰基，具有或不具有取代基的氨基羰基甲基，烷氧羰基，烷基，具有或不具有取代基的苯基，或与R1至R4中选择的任何其他基团相互配合形成饱和或不饱和环的基团。
• CHARGE CONTROL AGENT AND RELATED TECHNIQUE
  申请人：ORIENT CHEMICAL INDUSTRIES, LTD.

  公开号：EP1862860A1

  公开（公告）日：2007-12-05

  [PROBLEMS] Providing a charge control agent that has a negative charge providing property at a practical level, is colorless to light-colored and usable in color toners, produces static charges stable to environmental changes by electrifying the resin powder of a toner and the like, is excellent in storage stability and durability, and is highly safe, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. [MEANS OF SOLVING THE PROBLEMS] A charge control agent having a compound represented by the formula shown below as the active ingredient, as well as a method of controlling the charge of resin powder using the charge control agent, and a toner. X : an oxygen atom or N-H; Each of R1 to R4 : a hydrogen atom, a carboxyl group, an aminocarbonyl group having or not having a substituent, an aminocarbonylmethyl group having or not having a substituent, an alkoxycarbonyl group, an alkyl group, a phenyl group having a substituent or not having a substituent, or a group that forms a saturated or unsaturated ring having or not having a substituent in cooperation with any other group selected from among R1 to R4.

  [问题] 提供一种电荷控制剂，该电荷控制剂在实用水平上具有提供负电荷的特性，无色至浅 色，可用于彩色调色剂，通过对调色剂的树脂粉末等通电产生对环境变化稳定的静电荷，储 存稳定性和耐久性优异，安全性高，以及使用该电荷控制剂控制树脂粉末电荷的方法和调色 剂。 [解决问题的方法]一种电荷控制剂，其有效成分为下式所示的化合物，以及一种使用该电荷控制剂控制树脂粉电荷的方法和一种调色剂。 X ：氧原子或 N-H； R1 至 R4 中的每一个：氢原子、羧基、具有或不具有取代基的氨基羰基、具有或不 具有取代基的氨基羰甲基、烷氧基羰基、烷基、具有或不具有取代基的苯基、或与选 自 R1 至 R4 的任何其他基团配合形成具有或不具有取代基的饱和或不饱和环的基团。
• Direct lithiation of chalcogenachromones, -flavones, and -pyranones. The interconversion and electrophilic capture of ring-opened and ring-closed anions
  作者：Michael R. Detty、Lynda W. McGarry

  DOI：10.1021/jo00241a015

  日期：1988.3
• Soluble, Infrared-Absorbing Croconate Dyes from 2,6-Di-<i>tert</i>-butyl-4-methylchalcogenopyrylium Salts
  作者：Todd P. Simard、Jian H. Yu、Jennifer M. Zebrowski-Young、Neil F. Haley、Michael R. Detty

  DOI：10.1021/jo9916939

  日期：2000.4.1