1-[(4-硝基苯基)甲基]-4-苯基哌嗪 | 40224-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-[(4-硝基苯基)甲基]-4-苯基哌嗪
• 英文名称: 4-(4-phenyl-piperazinyl-methyl)-nitrobenzene
• 英文别名: 1-[2-(4-nitrophenyl)methyl]-4-phenylpiperazine；1-(4-nitrobenzyl)-4-phenylpiperazine；1-(4-nitrobenzyl)-4-phenyl-piperazine；1-phenyl-4-(p-nitrobenzyl)piperazine；4-(4-phenylpiperazine-1-ylmethyl)-1-nitrobenzene；4-(4-phenyl-piperazin-1-yl-methyl)-nitrobenzene；1-[(4-nitrophenyl)methyl]-4-phenylpiperazine
• CAS: 40224-22-4
• 化学式: C₁₇H₁₉N₃O₂
• 分子量: 297.357
• InChiKey: PIBSNEKGYCHCSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(4-硝基苯基)甲基]-4-苯基哌嗪 在 镍 吡啶 、 盐酸 、 硫酸 、 硝酸 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 、 乙酸酐 、 1,2-二氯乙烷 为溶剂， 反应 29.0h， 生成 4-[(4-Phenylpiperazin-1-yl)methyl]benzene-1,2-diamine
  参考文献：
  名称：

  Roglic; Dukic-Stefanovic; Andric, Pharmazie, 2001, vol. 56, # 10, p. 803 - 807

  摘要：

  DOI：
• 作为产物：
  描述：

  N-苯基哌嗪 生成 1-[(4-硝基苯基)甲基]-4-苯基哌嗪
  参考文献：
  名称：

  Solid phase supports

  摘要：

  本发明实施例通常涉及在包含衍生化功能的固体支持上进行有机化学反应，合成该支持的方法，使用该固体支持合成含胺基或N-含杂环化合物的方法，连接到该支持的中间化合物及其用途。

  公开号：

  US06486354B1

文献信息

• [EN] NOVEL POTASSIUM CHANNEL BLOCKER<br/>[FR] NOUVEAU BLOQUANT DU CANAL POTASSIQUE
  申请人：XENTION LTD

  公开号：WO2010023445A1

  公开（公告）日：2010-03-04

  The present invention provides a compound of formula (I):or its salts or pharmaceutically acceptable derivatives wherein; R1 is selected from the group consisting of optionally substituted arylalkyl, optionally substituted aryl, optionally substituted heteroarylalkyl and optionally substituted heteroaryl; R2 is selected from the group consisting of optionally substituted acyl, optionally substituted sulfonyl and optionally substituted sulfamoyl; R3 is selected from the group consisting of hydrogen, halogen, hydroxyl, alkoxy, aryloxy, optionally substituted alkyl, optionally substituted amino, optionally substituted amino carbonyl, optionally substituted amino sulfonyl or nitrile; X1 is selected from a group consisting of a chemical bond, CR7R8, C(=O), C(=NH), NR9, NHC(O), and SO2 wherein; R7 and R8 are independently selected from hydrogen, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted aryl and optionally substituted heteroaryl or; R7 and R8 together form an optionally substituted C4-6 cycloalkyl ring; R9 is selected from the group consisting of hydrogen, optionally substituted alkyl, optionally substituted aryl and optionally substituted heteroaryl; A represents an optionally substituted saturated or partially saturated 4-7 membered ring with the general formula (A): or is selected from formula (B): For each occurrence; X2 is CH or N; X3 is CH2, CH(R5a), C(R5a)(R5b), NH, N(R5c), O or S; X4 is independently selected from C(=O), CH2, CH(R4a) or C(R4a)(R4b); R4a and R4b for each occurrence is independently halogen, optionally substituted amino, hydroxyl, optionally substituted alkoxy, optionally substituted aryloxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl; R5a and R5b for each occurrence is independently, halogen, optionally substituted amino, hydroxyl, optionally substituted alkoxy, optionally substituted aryloxy, optionally substituted alkyl, optionally substituted alkanoyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl; R5c is optionally substituted acyl, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted arylalkyl, optionally substituted aryl or optionally substituted heteroaryl; n = 1 or 2. The compounds are useful as potassium ion channel inhibitors.

  本发明提供了一种化合物，其化学式为(I)：或其盐或药学上可接受的衍生物，其中；R1选自可选择地取代的芳基烷基，可选择地取代的芳基，可选择地取代的杂芳基烷基和可选择地取代的杂芳基；R2选自可选择地取代的酰基，可选择地取代的磺酰基和可选择地取代的磺胺基；R3选自氢、卤素、羟基、烷氧基、芳氧基、可选择地取代的烷基、可选择地取代的氨基、可选择地取代的氨基羰基、可选择地取代的氨基磺酰基或腈的群；X1选自化学键、CR7R8、C(=O)、C(=NH)、NR9、NHC(O)和SO2的群，其中；R7和R8各自选自氢、可选择地取代的烷基、可选择地取代的环烷基、可选择地取代的芳基和可选择地取代的杂芳基或；R7和R8一起形成一个可选择地取代的C4-6环烷基环；R9选自氢、可选择地取代的烷基、可选择地取代的芳基和可选择地取代的杂芳基；A代表一个可选择地取代的饱和或部分饱和的4-7成员环，其一般式为(A)：或选自式(B)：对于每次出现；X2为CH或N；X3为CH2、CH(R5a)、C(R5a)(R5b)、NH、N(R5c)、O或S；X4独立地选自C(=O)、CH2、CH(R4a)或C(R4a)(R4b)；R4a和R4b每次出现时独立地为卤素、可选择地取代的氨基、羟基、可选择地取代的烷氧基、可选择地取代的芳氧基、可选择地取代的烷基、可选择地取代的环烷基、可选择地取代的芳基烷基、可选择地取代的芳基或可选择地取代的杂芳基；R5a和R5b每次出现时独立地为卤素、可选择地取代的氨基、羟基、可选择地取代的烷氧基、可选择地取代的芳氧基、可选择地取代的烷基、可选择地取代的烷酰基、可选择地取代的环烷基、可选择地取代的芳基烷基、可选择地取代的芳基或可选择地取代的杂芳基；R5c为可选择地取代的酰基、可选择地取代的烷基、可选择地取代的环烷基、可选择地取代的芳基烷基、可选择地取代的芳基或可选择地取代的杂芳基；n = 1或2。这些化合物可用作钾离子通道抑制剂。
• Synthesis of Tertiary Amines Using a Polystyrene (REM) Resin
  作者：Angus R. Brown、David C. Rees、Zoran Rankovic、J. Richard Morphy

  DOI：10.1021/ja963829f

  日期：1997.4.1

  tertiary amines was constructed using a “traceless” linker on a polystyrene resin (REM resin), starting from secondary amines, primary amines, and resin-bound “ammonia”. The methodology is characterized by three essential steps conducted under ambient conditions: (1) coupling of the starting amine (Michael addition) to the resin, (2) activation (quaternization), and (3) cleavage of the product amine (Hofmann

  从仲胺、伯胺和树脂结合的“氨”开始，使用聚苯乙烯树脂（REM 树脂）上的“无痕”接头构建了一系列叔胺。该方法的特点是在环境条件下进行三个基本步骤：（1）将起始胺（迈克尔加成）偶联到树脂上，（2）活化（季铵化），以及（3）产物胺的裂解（霍夫曼消除） . 接头与酸和碱敏感的保护基策略兼容。化学性质确保以始终如一的高纯度（95% 或更高）获得叔胺产品。产物裂解后，REM 树脂得到再生，可重复用于重复合成。重复批次的产量和纯度保持超过 5 个循环，允许自动合成 >0。
• N-phenyl-imidazolidine-1-ones
  申请人：Boehringer Ingelheim GmbH

  公开号：US03937708A1

  公开（公告）日：1976-02-10

  Compounds of the formula ##SPC1## Wherein R is hydrogen, halogen, lower alkyl or lower alkoxy, R' is --CHR.sub.1 --Q--A, --CHR.sub.2 --A or --O--CHR.sub.2 --CHR.sub.1 --Q--A, each in m- or p-position, Where A is ##SPC2## Q is straight or branched alkylene of 1 to 4 carbon atoms, R.sub.1 is hydrogen, hydroxyl, lower alkoxy or --O--CO--R.sub.5, R.sub.2 is hydrogen or methyl, R.sub.3 and R.sub.4, which may be identical to or different from each other, are each hydrogen, lower alkyl, lower alkoxy, halogen, trifluoromethyl or, together with each other and neighboring carbon atoms of the phenyl ring to which they are attached, form a saturated or unsaturated carbocyclic 5- to 6-membered ring, R.sub.5 is lower alkyl, halo-lower alkyl, hydroxy-lower alkyl, lower alkoxy-lower alkyl, amino, (mono-lower alkyl)-amino or (di-lower alkyl)-amino, Z is an aromatic heterocyclic ring with one to two heteroatoms, which may optionally be condensed with a benzene ring, and R" is hydrogen, straight or branched lower alkyl, lower alkenyl, lower alkynyl, hydroxy-lower alkyl, (di-lower alkyl)-amino-lower alkyl or aralkyl, And their non-toxic, pharmacologically acceptable acid addition salts; the compounds as well as their salts are useful as CNS-depressants, neuroleptics, analgesics, antiphlogistics, spasmolytics, broncholytics, hypotensives and anti-cholesteremics.

  式为##SPC1##的化合物，其中R为氢、卤素、较低的烷基或较低的烷氧基，R'为--CHR.sub.1 --Q--A、--CHR.sub.2 --A或--O--CHR.sub.2 --CHR.sub.1 --Q--A，每个在m-或p-位置，其中A为##SPC2##，Q为1至4个碳原子的直链或支链烷基，R.sub.1为氢、羟基、较低的烷氧基或--O--CO--R.sub.5，R.sub.2为氢或甲基，R.sub.3和R.sub.4，它们可以相同也可以不同，每个为氢、较低的烷基、较低的烷氧基、卤素、三氟甲基或与它们相邻的苯环碳原子一起形成饱和或不饱和的碳环5至6元环，R.sub.5为较低的烷基、卤代较低的烷基、羟基较低的烷基、较低的烷氧基较低的烷基、氨基、(单较低的烷基)-氨基或(二较低的烷基)-氨基，Z为含有一到两个杂原子的芳香杂环，可以选择性地与苯环融合，R"为氢、直链或支链较低的烷基、较低的烯基、较低的炔基、羟基较低的烷基、(二较低的烷基)-氨基较低的烷基或芳基烷基，以及它们的无毒、药理学上可接受的酸盐；这些化合物及其盐可用作中枢神经系统抑制剂、神经阻滞剂、镇痛剂、抗炎药、解痉药、支气管扩张剂、降压药和抗胆固醇药。
• Piperazino methyl phenyl aminoquinolines
  申请人：The Upjohn Company

  公开号：US04140775A1

  公开（公告）日：1979-02-20

  Antihypertensive compounds of the formula III ##STR1## wherein X is chloro or trifluoromethyl; wherein R is hydrogen or alkyl of 1 to 3 carbon atoms, inclusive; wherein R.sub.1 is phenyl or phenyl substituted with one or two alkyl, alkoxy, trifluoromethyl or halo substituents, in which alkyl and alkoxy are each of 1 to 3 carbon atoms, inclusive, and halo is fluoro, chloro or bromo, are prepared by reacting a 4-chloro-7-substituted quinoline of formula I with a compound of the formula II ##STR2## wherein R and R.sub.1 are defined as above. The pharmacologically acceptable acid addition salts of compounds of formula III can also be used as antihypertensive agents.

  公式III的抗高血压化合物 ##STR1## 中，其中X是氯或三氟甲基；其中R是氢或1至3个碳原子的烷基；其中R.sub.1是苯或苯基，其上取代有一个或两个烷基、烷氧基、三氟甲基或卤素取代基，其中烷基和烷氧基各自为1至3个碳原子，包括，卤素为氟、氯或溴，通过将公式I的4-氯-7-取代喹啉与公式II的化合物反应制备而成，其中R和R.sub.1如上定义。公式III化合物的药理学可接受的酸盐也可用作抗高血压药剂。
• A novel linker strategy for solid-phase synthesis
  作者：J.Richard Morphy、Zoran Rankovic、David C. Rees

  DOI：10.1016/0040-4039(96)00497-2

  日期：1996.4

  The REM resin for solid phase synthesis is described. Its use is illustrated by preparing a small array of tertiary amines using a Hofmann elimination reaction. No functional group is required for linking these compounds onto the resin other than the amine constructed during the synthesis.

  描述了用于固相合成的REM树脂。通过使用霍夫曼消除反应制备少量的叔胺来说明其用途。除了合成过程中构造的胺以外，不需要官能团将这些化合物连接到树脂上。