3-硝基-4-(哌啶-1-基)苯甲酰氯 | 875000-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-硝基-4-(哌啶-1-基)苯甲酰氯
• 英文名称: 3-nitro-4-(piperidin-1-yl)benzoyl chloride
• 英文别名: 3-Nitro-4-piperidin-1-ylbenzoyl chloride
• CAS: 875000-14-9
• 化学式: C₁₂H₁₃ClN₂O₃
• 分子量: 268.7
• InChiKey: KWVKUEPRWKXCNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-硝基-4-(哌啶-1-基)苯甲酰氯 在 三氯化铝 、 铁粉 、 溶剂黄146 作用下， 生成 3-amino-4-piperidino-benzophenone
  参考文献：
  名称：

  Utility of Complementary Molecular Reactivity and Molecular Recognition (CMR/R) Technology and Polymer-Supported Reagents in the Solution-Phase Synthesis of Heterocyclic Carboxamides

  摘要：

  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.

  DOI：

  10.1021/jo970571i
• 作为产物：
  描述：

  3-硝基-4-哌啶-1-苯甲酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 3-硝基-4-(哌啶-1-基)苯甲酰氯
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE
  [FR] COMPOSÉS ET PROCÉDÉS D'ACTIVATION DE LIPOPROTÉINE LIPASE

  摘要：

  本公开涉及的是脂蛋白脂酶激活剂，其具有公式(I)或其药学上可接受的盐、异构体、溶剂合物、前药或互变异构体，在治疗受该酶调节的疾病和疾病方面具有用途。

  公开号：

  WO2022159445A1

文献信息

• [EN] COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE<br/>[FR] COMPOSÉS ET PROCÉDÉS D'ACTIVATION DE LIPOPROTÉINE LIPASE
  申请人：METREA BIOSCIENCES INC

  公开号：WO2022159445A1

  公开（公告）日：2022-07-28

  The present disclosure is generally directed to activators of lipoprotein lipase useful in the treatment of diseases and disorders modulated by said enzyme and having the Formula (I), or a pharmaceutically acceptable salt, isomer, solvate, prodrug, or tautomer thereof.

  本公开涉及的是脂蛋白脂酶激活剂，其具有公式(I)或其药学上可接受的盐、异构体、溶剂合物、前药或互变异构体，在治疗受该酶调节的疾病和疾病方面具有用途。
• 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.