3-acetylpivalophenone | 153620-18-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetylpivalophenone
• 英文别名: 1-(3-Acetylphenyl)-2,2-dimethylpropan-1-one
• CAS: 153620-18-9
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: OJJKTMNCFIPJKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-acetylpivalophenone 以 二氯甲烷 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Conformational effects on high-spin organic molecules

  摘要：

  The ability of m-phenylene to ferromagnetically couple spin-containing substituents that are substantially twisted out of conjugation is investigated. The ''bis(TMM)'' strategy is employed, in which two triplet TMM biradicals am linked through m-phenylene to produce relatively stable, organic tetraradicals that are characterized by EPR spectroscopy. Under conditions of moderate twisting (4), ferromagnetic coupling is seen, and the tetraradical has a quintet ground state. Severely twisting both TMMs as in 13 disrupts spin communication, and two noninteracting triplets are produced. This is in contrast to other highly twisted m-phenylene derivatives, in which antiferromagnetic coupling has been observed. Surprisingly, severely twisting only one TMM (14) still produces ferromagnetic coupling and a quintet ground state through a spin polarization mechanism analogous to that proposed for 90-degrees twisted ethylene. Several ring-constrained TMMs (17-19) are investigated as models for mom nearly planar systems.

  DOI：

  10.1021/j100152a035
• 作为产物：
  描述：

  3-乙酰苯腈 在 硫酸 、 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 20.5h， 生成 3-acetylpivalophenone
  参考文献：
  名称：

  Conformational effects on high-spin organic molecules

  摘要：

  The ability of m-phenylene to ferromagnetically couple spin-containing substituents that are substantially twisted out of conjugation is investigated. The ''bis(TMM)'' strategy is employed, in which two triplet TMM biradicals am linked through m-phenylene to produce relatively stable, organic tetraradicals that are characterized by EPR spectroscopy. Under conditions of moderate twisting (4), ferromagnetic coupling is seen, and the tetraradical has a quintet ground state. Severely twisting both TMMs as in 13 disrupts spin communication, and two noninteracting triplets are produced. This is in contrast to other highly twisted m-phenylene derivatives, in which antiferromagnetic coupling has been observed. Surprisingly, severely twisting only one TMM (14) still produces ferromagnetic coupling and a quintet ground state through a spin polarization mechanism analogous to that proposed for 90-degrees twisted ethylene. Several ring-constrained TMMs (17-19) are investigated as models for mom nearly planar systems.

  DOI：

  10.1021/j100152a035

文献信息

• Compounds for use in treatment of mucositis
  申请人：Innovation Pharmaceuticals Inc.

  公开号：US10206894B2

  公开（公告）日：2019-02-19

  The present invention provides methods for treating and/or preventing mucositis with one or more compounds, or pharmaceutically acceptable salts thereof, disclosed herein, or compositions comprising the same.

  本发明提供了用本文公开的一种或多种化合物或其药学上可接受的盐，或包含这些化合物的组合物治疗和/或预防粘膜炎的方法。
• Polyarylether ketone imide adhesives
  申请人：THE BOEING COMPANY

  公开号：US10465046B2

  公开（公告）日：2019-11-05

  Aspects of the present disclosure generally describe polyarylether ketones and methods of use. In some aspects, a composition includes one or more polymers of formula (IV):

  本公开的各个方面一般描述了聚芳醚酮及其使用方法。在某些方面，组合物包括一种或多种式 (IV) 的聚合物：
• POLYARYLETHER KETONE IMIDE SULFONE ADHESIVES
  申请人：THE BOEING COMPANY

  公开号：US20170260432A1

  公开（公告）日：2017-09-14

  Aspects of the present disclosure generally describe polyarylether ketones and methods of use. In some aspects, a composition includes one or more polymers of formulae (I), (II), or (III):
• Compounds For Use In Treatment of Mucositis
  申请人：Innovation Pharmaceuticals Inc.

  公开号：US20180064664A1

  公开（公告）日：2018-03-08

  The present invention provides methods for treating and/or preventing mucositis with one or more compounds, or pharmaceutically acceptable salts thereof, disclosed herein, or compositions comprising the same.
• POLYARYLETHER KETONE IMIDE ADHESIVES
  申请人：THE BOEING COMPANY

  公开号：US20200062905A1

  公开（公告）日：2020-02-27

  Aspects of the present disclosure generally describe polyarylether ketones and methods of use. In some aspects, a composition includes one or more polymers of formula (IV):