1,3-dipivaloylbenzene | 153620-12-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-dipivaloylbenzene
• 英文别名: 1-[3-(2,2-Dimethylpropanoyl)phenyl]-2,2-dimethylpropan-1-one
• CAS: 153620-12-3
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: SKBKONNNMHJYCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1,3-dipivaloylbenzene 在 氢氧化钾 、 碳酸氢钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 8.5h， 生成 1,3-bis(1-(2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene)-2,2-dimethylpropyl)benzene
  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：

  间苯二甲腈 、 叔丁基氯化镁 在 CuCN 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 21.0h， 以38%的产率得到1,3-dipivaloylbenzene
  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

• Fluorine-Containing Polymerizable Monomer And Polymer Compound Using Same
  申请人：Central Glass Company, Limited

  公开号：US20140148548A1

  公开（公告）日：2014-05-29

  The present invention provides a fluorine-containing fluorenediamine of the formula (2): where R 1 represents one kind of substituent group selected from the group consisting of a hydrogen atom, a fluorine atom, a chlorine atom, a bromine atom, a C 1 -C 4 alkyl group, a C 1 -C 4 fluoroalkyl group in which any number of hydrogen atoms can be substituted by a fluorine atom, a phenyl group, a methoxy group and a nitro group; R 2 represents one kind of substituent group selected from the group consisting of a hydrogen atom, a fluorine atom, a chlorine atom, a bromine atom, an iodine atom, a phenyl group, a naphthyl group, a biphenyl group, a sulfonic acid group, a —C≡C—C(CH 3 ) 2 OH group, a —C≡C—C 6 H 5 group and a —C≡C—Si(CH 3 ) 3 group; HFIP represents a —C(CF 3 ) 2 OH group; and m and n each independently represent an integer of 0 to 2 and satisfy a condition of 1≦m+n≦4.

  本发明提供了一种具有如下公式（2）的含氟芴二胺：其中R1代表从氢原子、氟原子、氯原子、溴原子、C1-C4烷基、C1-C4氟烷基（其中任意数量的氢原子可被氟原子取代）、苯基、甲氧基和硝基等组成的一种取代基；R2代表从氢原子、氟原子、氯原子、溴原子、碘原子、苯基、萘基、联苯基、磺酸基、—C≡C—C(CH3)2OH基、—C≡C—C6H5基和—C≡C—Si(CH3)3基等组成的一种取代基；HFIP代表—C(CF3)2OH基；m和n分别独立地表示0到2的整数，并满足1≦m+n≦4的条件。
• Trigger-Responsive Chain-Shattering Polymers
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20150141453A1

  公开（公告）日：2015-05-21

  Disclosed are polymers containing a backbone comprising alternating N-protected hydroxymethylaniline units (“spacer”) and linker units.

  本发明涉及一种聚合物，其骨架包含交替排列的N-保护羟甲基苯胺单元（“间隔”）和连接单元。
• Merging the Norrish type I reaction and transition metal catalysis: photo- and Rh-promoted borylation of C–C σ-bonds of aryl ketones
  作者：Yuki Fujimaki、Nobuharu Iwasawa、Jun Takaya

  DOI：10.1039/d2sc06801j

  日期：——

  borylation of C–C σ-bonds of aryl ketones was achieved by the combined use of photoenergy and a Rh catalyst. The cooperative system enables α-cleavage of photoexcited ketones to generate aroyl radicals via the Norrish type I reaction, which are successively decarbonylated and borylated with the rhodium catalyst. This work establishes a new catalytic cycle merging the Norrish type I reaction and Rh catalysis

  通过结合使用光能和 Rh 催化剂，通过芳基酮的 C-C σ-键硼化合成芳基硼酸酯。该协同系统能够通过Norrish I 型反应使光激发酮的 α 裂解产生芳酰基，然后在铑催化剂的作用下连续脱羰基和硼基化。这项工作建立了一个新的催化循环，结合了 Norrish I 型反应和 Rh 催化，并展示了芳基酮作为分子间芳基化反应的芳基来源的新合成效用。
• Polyarylether ketone imide adhesives
  申请人：THE BOEING COMPANY

  公开号：US10011685B2

  公开（公告）日：2018-07-03

  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，一种组合物包括一种或多种式 (IV) 的聚合物：
• Compounds for use in treatment of mucositis
  申请人：Innovation Pharmaceuticals Inc.

  公开号：US10603294B2

  公开（公告）日：2020-03-31

  The present invention provides methods for treating and/or preventing mucostitis 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/或预防粘液囊炎的方法。