3-nitro-4-piperidino-benzophenone | 56106-97-9

• 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: 3-nitro-4-piperidino-benzophenone
• 英文别名: (3-nitro-4-piperidin-1-ylphenyl)-phenylmethanone
• CAS: 56106-97-9
• 化学式: C₁₈H₁₈N₂O₃
• 分子量: 310.353
• InChiKey: ZMTXSKUYSYBJSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 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-nitro-4-piperidino-benzophenone 在 铁粉 水 、 苯 、 magnesium sulfate 、 silica gel 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 生成 3-amino-4-piperidino-benzophenone
  参考文献：
  名称：

  Diamine-benzophenones and a process for the preparation thereof

  摘要：

  一般式（I）的新化合物为：##SPC1## 其中，R.sub.1和R.sub.2分别是饱和或不饱和的直链或支链烷基、芳基烷基、饱和或不饱和的环烷基或芳基，或者R.sub.1和R.sub.2与相邻的氮原子一起形成取代或未取代的杂环基团，带或不带进一步的氧或氮杂原子，而R.sub.3为氢或来自C.sub.1.sub.-18羧酸的酰基。这些化合物是通过还原一般式（II）的相应硝基化合物制备的：##SPC2## 并且可以选择性地酰化所得产物。一般式（I）的化合物及其酸加合物和季铵盐主要在诱导肝微粒体酶方面具有活性，但它们也具有有价值的退烧活性和增强抗抑郁药物特征的异肉碱致死率增加效应。

  公开号：

  US03989701A1
• 作为产物：
  描述：

  3-硝基-4-哌啶-1-苯甲酸 在 三氯化铝 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-nitro-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

文献信息

• Substituted nitrobenzophenone derivatives
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US03957777A1

  公开（公告）日：1976-05-18

  New compounds of the formula (I), ##SPC1## wherein R.sub.1 and R.sub.2 each stand for a saturated or unsaturated, straightchained or branched alkyl group, an aralkyl group, a saturated or unsaturated cycloalkyl group or an aryl group, or R.sub.1 and R.sub.2 together with the adjacent nitrogen atom form a substituted or unsubstituted heterocyclic group which can contain a further oxygen or nitrogen hetero atom, But when R.sub.1 is methyl, R.sub.2 is a group other than methyl, are prepared by reacting a compound of the formula (II), ##SPC2## wherein X stands for halogen, with a secondary amine of the general formula (III), r.sub.1 --nh--r.sub.2. (iii) the new compounds of the general formula (I), as well as their pharmaceutical acceptable acid addition salts or quaternary ammonium salts are active primarily in the induction of liver microsomal enzyme, but they also possess antipyretic activity.

  公式（I）的新化合物，其中R.sub.1和R.sub.2分别代表饱和或不饱和的直链或支链烷基，芳基烷基，饱和或不饱和的环烷基或芳基，或者R.sub.1和R.sub.2与相邻的氮原子一起形成一个取代或未取代的杂环基团，该基团可以含有进一步的氧或氮杂原子。但当R.sub.1为甲基时，R.sub.2是非甲基基团，通过将公式（II）的化合物与一般公式（III）的二级胺进行反应制备。其中X代表卤素，r.sub.1 --nh--r.sub.2。通式（I）的新化合物，以及它们的药用可接受的酸盐或季铵盐主要在诱导肝微粒体酶方面具有活性，但它们也具有退热活性。
• N-methyl substituted piperazino nitrobenzophenones and a process for the
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US03975390A1

  公开（公告）日：1976-08-17

  New compounds of the general formula (I), ##SPC1## wherein R.sub.1 and R.sub.2 each stand for a saturated or unsaturated, straight-chained or branched alkyl group, an aralkyl group, a saturated or unsaturated cycloalkyl group or an aryl group, or R.sub.1 and R.sub.2 together with the adjacent nitrogen atom may form an optionally substituted heterocyclic group optionally containing a further oxygen or nitrogen hetero atom, But if R.sub.1 stands for methyl, R.sub.2 may only stand for a group other than methyl, Are prepared by reacting a compound of the general formula (II), ##SPC2## wherein X stands for halogen, with a secondary amine of the general formula (III), r.sub.1 --nh--r.sub.2 (iii) wherein R.sub.1 and R.sub.2 each have the same meanings as defined above. The new compounds of the general formula (I), as well as their pharmaceutical acceptable acid addition salts or quaternary ammonium salts are active primarily in the induction of liver microsomal enzyme, but they also possess antipyretic activity.

  通式（I）的新化合物，其中R1和R2分别代表饱和或不饱和的直链或支链烷基，芳基烷基，饱和或不饱和的环烷基或芳基，或R1和R2与相邻的氮原子一起可以形成一个可选的取代的杂环基团，该杂环基团可以包含进一步的氧或氮杂原子，但如果R1代表甲基，则R2只能代表甲基以外的基团。通过将通式（II）的化合物与通式（III）的二级胺反应制备而成，其中X代表卤素，通式（III）中的R1和R2具有上述定义的相同含义。通式（I）的新化合物以及它们的药用可接受的酸加合物盐或季铵盐主要在诱导肝微粒体酶方面具有活性，但它们也具有退烧活性。
• Substituted nitrobenzophenone derivatives and a process for the
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US04064121A1

  公开（公告）日：1977-12-20

  New compounds of the general formula (I), ##STR1## wherein R.sub.1 and R.sub.2 each stand for a saturated or unsaturated, straight-chained or branched alkyl group, an aralkyl group, a saturated or unsaturated cycloalkyl group or an aryl group, or R.sub.1 and R.sub.2 together with the adjacent nitrogen atom may form an optionally substituted heterocyclic group optionally containing a further oxygen or nitrogen hetero atom, But if R.sub.1 stands for methyl, R.sub.2 may only stand for a group other than methyl, are prepared by reacting a compound of the general formula ##STR2## wherein X stands for halogen, with a secondary amine of the general formula (III), r.sub.1 --nh--r.sub.2 (iii) wherein R.sub.1 and R.sub.2 each have the same meanings as defined above. The new compounds of the general formula (I), as well as their pharmaceutical acceptable acid addition salts or quaternary ammonium salts are active primarily in the induction of liver microsomal enzyme, but they also possess antipyretic activity.

  通式（I）的新化合物，其中R.sub.1和R.sub.2分别代表饱和或不饱和的直链或支链烷基，芳基烷基，饱和或不饱和的环烷基或芳基，或R.sub.1和R.sub.2与相邻的氮原子一起可以形成一个可选取代的杂环基，可选包含进一步的氧或氮杂原子，但如果R.sub.1代表甲基，则R.sub.2只能代表甲基以外的基团，通过将通式##STR2##其中X代表卤素，与通式（III）的二级胺反应制备而成，r.sub.1-nh-r.sub.2（iii）其中R.sub.1和R.sub.2的含义如上所定义。通式（I）的新化合物及其药学上可接受的酸加盐或季铵盐主要在诱导肝微粒体酶方面具有活性，但它们也具有解热活性。
• Electron impact ionized benzoylnitroanilines and theirN-alkyl andN-acyl derivatives
  作者：N. R. Ayyangar、A. Sudalai、Thomas Daniel

  DOI：10.1002/oms.1210260704

  日期：1991.7

  AbstractThe behaviour of some benzoylnitroanilines and their derivatives under electron impact ionization was invest gated by means of low‐resolution mass spectrometry. Some characteristic rearrangement processes are discussed.
• Dérivés de benzoyl-phényl-pipéridine, procédé de préparation et application en thérapeutique
  申请人：SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I.

  公开号：EP0069012B1

  公开（公告）日：1984-10-10