4-methyl-3-nitrobenzophenone | 79482-00-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methyl-3-nitrobenzophenone
• 英文别名: 4-Methyl-3-nitro-benzophenon；(4-methyl-3-nitrophenyl)phenyl-methanone；Methanone, (4-methyl-3-nitrophenyl)phenyl-；(4-methyl-3-nitrophenyl)-phenylmethanone
• CAS: 79482-00-1
• 化学式: C₁₄H₁₁NO₃
• 分子量: 241.246
• InChiKey: AIHPHIHMHMQFGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-3-nitrobenzophenone 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 、 二甲基亚砜 为溶剂， 反应 12.0h， 生成 3-nitro-4-(phenylsulfonylmethyl)benzophenone
  参考文献：
  名称：

  Makosza, Mieczyslaw; Baran, Janusz; Dziewonska-Baran, Danuta, Liebigs Annalen der Chemie, 1989, p. 825 - 832

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基二苯甲酮 在 硝酸 作用下， 以 水 为溶剂， 反应 8.0h， 以71%的产率得到4-methyl-3-nitrobenzophenone
  参考文献：
  名称：

  取代的二芳基重氮甲烷和重氮芴：结构，反应性和稳定性

  摘要：

  报道了几种取代的二芳基重氮甲烷和重氮芴的合成，以及它们的结构，反应性和稳定性的评估。

  DOI：

  10.1016/j.tetlet.2011.01.116

文献信息

• Synthesis of unsymmetric ketones via ligandless Pd-catalyzed reaction of acyl chlorides with organoboranes
  作者：Nikolay A. Bumagin、Dmitriy N. Korolev

  DOI：10.1016/s0040-4039(99)00364-0

  日期：1999.4

  The cross-coupling reaction of sodium tetra-arylborates with acyl chlorides to give high yields of unsymmetric ketones has been carried out at 20°C in the presence of Pd(OAc)2 and Na2CO3 in dry or aqueous acetone. Under aqueous conditions arylboronic acids react smoothly with benzoyl chloride resulting in substituted benzophenones.

  四芳基硼酸钠与酰氯的交叉偶联反应产生高产率的不对称酮，已在干燥或含水丙酮中，在Pd（OAc）2和Na 2 CO 3存在下于20°C进行。在水性条件下，芳基硼酸与苯甲酰氯平稳反应，生成取代的二苯甲酮。
• Palladium-catalyzed reactions of arylboron compounds with carboxylic acid chlorides
  作者：D. N. Korolev、N. A. Bumagin

  DOI：10.1023/b:rucb.0000030812.95602.0a

  日期：2004.2

  Reactions of sodium tetraarylborates and arylboronic acids with acyl chlorides in the presence of palladium salts afford non-symmetrical ketones in high yields under mild conditions.

  四芳基硼酸钠和芳基硼酸与酰氯在钯盐存在下的反应在温和条件下以高产率提供非对称酮。
• Utility of Complementary Molecular Reactivity and Molecular Recognition (CMR/R) Technology and Polymer-Supported Reagents in the Solution-Phase Synthesis of Heterocyclic Carboxamides
  作者：John J. Parlow、Deborah A. Mischke、Scott S. Woodard

  DOI：10.1021/jo970571i

  日期：1997.8.1

  The use of our recently reported chemical library purification strategy in the development of a herbicidal lead, N-(3-benzoylphenyl)-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxamide (3), is described. The approach applying fundamental properties of complementary molecular reactivity and molecular recognition (CMR/R) as the basis for a general purification strategy was utilized. Polymeric reagents were used in the synthesis to generate reactive species involved in product formation, and complementary molecular reactivity/molecular recognition polymer 8 (CMR/R polymer 8) was used in the solution-phase syntheses of building blocks, primary libraries, and lead refinement libraries. An extension of the CMR/R methodology was applied, utilizing a sequestration enabling reagent (SER), transforming a reactant into an electrophilic species sequestrable by CMR/R polymer 8. This library purification strategy enabled rapid lead generation and lead refinement to afford herbicide 27o. The CMR/R solid-phase purification technique enabled a simple, general, and powerful protocol, eliminating the usual tedious and time-consuming methods required for solution-phase product purification. The result was the synthesis of hundreds of compounds, prepared in a relatively short time, leading to a compound with a 4-fold improvement in herbicidal activity over the initial lead.
• Chardonnens; Schlapbach, Helvetica Chimica Acta, 1946, vol. 29, p. 1413,1417
  作者：Chardonnens、Schlapbach

  DOI：——

  日期：——
• Palladium-catalyzed reactions of organoboron compounds with acyl chlorides
  作者：V. V. Bykov、D. N. Korolev、N. A. Bumagin

  DOI：10.1007/bf02502959

  日期：1997.9