3-(2-氯乙基)-3,4-二氢喹唑啉-4-酮 | 2940-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-(2-氯乙基)-3,4-二氢喹唑啉-4-酮
• 英文名称: 3-(2-Chloroethyl)-4(3H)-quinazolinone
• 英文别名: 3-(2-chloroethyl)quinazolin-4(3H)-one；3-(2-chloro-ethyl)-3H-quinazolin-4-one；3-(2-chloroethyl)quinazoline-4-(3H)-one；3-(β-Chlorethyl)-3,4-dihydro-4-oxoquinazolin；3-(2-Chlor-ethyl)-3,4-dihydro-chinazol-4-on；3-(2-Chlor-ethyl)-chinazol-4-on；3-(2-chloroethyl)quinazolin-4-one
• CAS: 2940-68-3
• 化学式: C₁₀H₉ClN₂O
• mdl: MFCD02729221
• 分子量: 208.647
• InChiKey: NJCVGJQMNUHBCF-UHFFFAOYSA-N

物化性质

• 熔点：
  125 °C
• 沸点：
  357.2±44.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-氯乙基)-3,4-二氢喹唑啉-4-酮 、 1-苯甲酰哌嗪 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以76%的产率得到3-(2-(4-benzoylpiperazin-1-yl)ethyl)quinazoline-4(3H)-one
  参考文献：
  名称：

  一种具有杀线虫活性的含氮杂环化合物及其制法和用途

  摘要：

  本发明涉及一种具有杀线虫活性的含氮杂环化合物及其制法和用途。具体地，本发明公开了具有式(I)化合物或其光学异构体、顺反异构体或农药学上可接受的盐，及其制备方法。本发明还公开了包含上述化合物的农用组合物及其用途。上述化合物具有优异的杀线虫活性。

  公开号：

  CN108276352B
• 作为产物：
  描述：

  4-羟基喹唑啉 在 氯化亚砜 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 3-(2-氯乙基)-3,4-二氢喹唑啉-4-酮
  参考文献：
  名称：

  一种具有杀线虫活性的含氮杂环化合物及其制法和用途

  摘要：

  本发明涉及一种具有杀线虫活性的含氮杂环化合物及其制法和用途。具体地，本发明公开了具有式(I)化合物或其光学异构体、顺反异构体或农药学上可接受的盐，及其制备方法。本发明还公开了包含上述化合物的农用组合物及其用途。上述化合物具有优异的杀线虫活性。

  公开号：

  CN108276352B

文献信息

• [EN] COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS<br/>[FR] COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES POUR TRAITER DES TROUBLES ASSOCIÉS AUX RÉCEPTEURS 5-HT1A ET 5-HT2A
  申请人：ACHE LAB FARMACEUTICOS SA

  公开号：WO2012037634A1

  公开（公告）日：2012-03-29

  This invention is related to the alkyl-piperazine-phenyl 4 (3H)-quinazolinones general formula (I) compounds, pharmacologicaly active and able to act on the 5-HT1A and 5-HT2A serotonin receptors in a manner that promotes the control, relief or cure of disorders associated with these receptors, and pharmaceutical compositions containing the compounds for the treatment of disorders associated with these receptors. These compounds and their pharmaceutical compositions are useful in the treatment of conditions such as depression, anxiety, phobias, addictions, aggressiveness, impulsiveness, panic, psychotic, eating and sleep disorders, obsessive-compulsive disorder and female sexual dysfunctions, among other disorders associated with these receptors.

  这项发明涉及与烷基-哌嗪基苯基4(3H)-喹唑啉酮通式(I)化合物相关，这些化合物在药理学上活跃，并能通过促进对5-HT1A和5-HT2A 5-羟色胺受体的作用来控制、缓解或治疗与这些受体相关的疾病，并且含有这些化合物的药物组合物用于治疗与这些受体相关的疾病。这些化合物及其药物组合物在治疗抑郁症、焦虑症、恐惧症、成瘾、攻击性、冲动性、恐慌、精神病、进食和睡眠障碍、强迫症和女性性功能障碍等疾病方面具有用处，这些疾病与这些受体有关。
• 3-Aminoalkyl- and 3-benzyl-4(3H)-quinazolinones
  作者：František Roubínek、Josef Vavřina、Zdeněk Buděšínský

  DOI：10.1135/cccc19820630

  日期：——

  Reaction of 3-(2,3-epoxypropyl)-4(3H)-quinazolinone and/or its 6,7-dichloro- and 7-bromo-6-chloro-derivatives (Ib, Ic) with 5-diethylamino-2-pentylamine, 3-diethylaminomethyl-4-hydroxyaniline, 3,4-methylenedioxyaniline and 4-dimethylaminoaniline gave the corresponding substituted 4(3H)-quinazolinones, IIa, IIIb, IVb, Vc and VIc. Reactions of 3-(2-chloroethyl)-4(3H)-quinazolinones with the substituted anilines, pyridine and pyrrolidine gave rise to 3-(2-amino-ethyl)-4(3H)-quinazolinones VIIIa-VIIIj, IX and X. The piperidine derivative XI was obtained by the action of 1-(2-chloroethyl) piperidine on 4(3H)-quinazolinone. Reactions of 2-chlorobenzyl chloride 4-chlorobenzylchloride and 3,4,5-trimethoxybenzoyl chloride with 4(3H)-quinazolinone afforded 3-(2-chlorobenzyl)-, 3-(4-chlorobenzyl)-4(3H)-quinazolinone and 3-(3,4,5,-trimethoxybenzoyl)-4(3H)-quinazolinone (XII, XIII, XIV). All the compounds were screened for coccidiostatic and antihelmintic activity.

  3-(2,3-环氧丙基)-4(3H)-喹唑啉酮及/或其6,7-二氯和7-溴-6-氯衍生物(Ib, Ic)与5-二乙胺基-2-戊胺、3-二乙胺甲基-4-羟基苯胺、3,4-亚甲二氧基苯胺和4-二甲胺基苯胺反应，得到相应的取代4(3H)-喹唑啉酮，IIa、IIIb、IVb、Vc和VIc。3-(2-氯乙基)-4(3H)-喹唑啉酮与取代苯胺、吡啶和吡咯烷的反应产生3-(2-氨基乙基)-4(3H)-喹唑啉酮VIIIa-VIIIj、IX和X。通过1-(2-氯乙基)哌啶对4(3H)-喹唑啉酮的作用得到哌啶衍生物XI。2-氯苄基氯化物、4-氯苄基氯化物和3,4,5-三甲氧基苯甲酰氯与4(3H)-喹唑啉酮的反应得到3-(2-氯苄基)-、3-(4-氯苄基)-4(3H)-喹唑啉酮和3-(3,4,5-三甲氧基苯甲酰)-4(3H)-喹唑啉酮(XII、XIII、XIV)。所有化合物均进行了抗球虫和抗蠕虫活性筛选。
• Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors
  申请人：ACHÉ INTERNATIONAL (BVI) LTD.

  公开号：US20140303179A1

  公开（公告）日：2014-10-09

  This invention is related to the alkyl-piperazine-phenyl 4 (3H)-quinazolinones general formula (I) compounds, pharmacologicaly active and able to act on the 5-HT 1A and 5-HT 2A serotonin receptors in a manner that promotes the control, relief or cure of disorders associated with these receptors, and pharmaceutical compositions containing the compounds for the treatment of disorders associated with these receptors. These compounds and their pharmaceutical compositions are useful in the treatment of conditions such as depression, anxiety, phobias, addictions, aggressiveness, impulsiveness, panic, psychotic, eating and sleep disorders, obsessive-compulsive disorder and female sexual dysfunctions, among other disorders associated with these receptors.

  本发明涉及烷基哌嗪苯基4（3H）-喹唑啉酮通式（I）化合物，这些化合物具有药理活性，并能够通过促进对5-HT1A和5-HT2A血清素受体的作用，有助于控制、缓解或治愈与这些受体相关的疾病，以及包含这些化合物的制药组合物，用于治疗与这些受体相关的疾病。这些化合物及其制药组合物在治疗抑郁症、焦虑症、恐惧症、成瘾、攻击性、冲动性、惊恐症、精神病、进食和睡眠障碍、强迫症以及女性性功能障碍等与这些受体相关的疾病方面具有用途。
• COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS
  申请人：Freire Torres Russo Valter

  公开号：US20130184286A1

  公开（公告）日：2013-07-18

  This invention is related to the alkyl-piperazine-phenyl 4 (3H)-quinazolinones general formula (I) compounds, pharmacologically active and able to act on the 5-HT1A and 5-HT2A serotonin receptors in a manner that promotes the control, relief or cure of disorders associated with these receptors, and pharmaceutical compositions containing the compounds for the treatment of disorders associated with these receptors. These compounds and their pharmaceutical compositions are useful in the treatment of conditions such as depression, anxiety, phobias, addictions, aggressiveness, impulsiveness, panic, psychotic, eating and sleep disorders, obsessive-compulsive disorder and female sexual dysfunctions, among other disorders associated with these receptors.

  本发明涉及烷基哌嗪苯4(3H)-喹唑酮通式(I)化合物，这些化合物具有药理活性，并能够以促进对5-HT1A和5-HT2A血清素受体的作用来控制、缓解或治愈与这些受体相关的疾病，并且包含这些化合物的制药组合物可用于治疗与这些受体相关的疾病。这些化合物及其制药组合物在治疗抑郁症、焦虑症、恐惧症、成瘾、攻击性、冲动、惊恐、精神病、进食和睡眠障碍、强迫症和女性性功能障碍等与这些受体相关的其他疾病方面非常有用。
• Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors
  申请人：Freire Torres Russo Valter

  公开号：US08735578B2

  公开（公告）日：2014-05-27

  This invention is related to the alkyl-piperazine-phenyl 4 (3H)-quinazolinones general formula (I) compounds, pharmacologically active and able to act on the 5-HT1A and 5-HT2A serotonin receptors in a manner that promotes the control, relief or cure of disorders associated with these receptors, and pharmaceutical compositions containing the compounds for the treatment of disorders associated with these receptors. These compounds and their pharmaceutical compositions are useful in the treatment of conditions such as depression, anxiety, phobias, addictions, aggressiveness, impulsiveness, panic, psychotic, eating and sleep disorders, obsessive-compulsive disorder and female sexual dysfunctions, among other disorders associated with these receptors.

  本发明涉及烷基-哌嗪基-苯基4（3H）-喹唑啉酮通式（I）化合物，这些化合物具有药理活性，并且能够通过促进对5-HT1A和5-HT2A 5-羟色胺受体的作用来控制、缓解或治疗与这些受体相关的疾病，并且包含这些化合物的制药组合物用于治疗与这些受体相关的疾病。这些化合物及其制药组合物在治疗抑郁症、焦虑症、恐惧症、成瘾、攻击性、冲动性、惊恐症、精神病、进食和睡眠障碍、强迫症和女性性功能障碍等与这些受体相关的疾病方面具有用处。