7,8-二氢-3-甲基-5(6H)-喹啉酮 | 60247-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 7,8-二氢-3-甲基-5(6H)-喹啉酮
• 英文名称: 7,8-dihydro-3-methylquinolin-5(6H)-one
• 英文别名: 7,8-Dihydro-3-methylchinolin-5(6H)-on；3-methyl-7,8-dihydro-6H-quinolin-5-one；3-methyl-7,8-dihydro-5(6H)-quinolone；3-Methyl-7,8-dihydroquinolin-5(6H)-one；3-methyl-7,8-dihydro-6H-quinolin-5-one
• CAS: 60247-70-3
• 化学式: C₁₀H₁₁NO
• mdl: MFCD01314217
• 分子量: 161.203
• InChiKey: JPPNDGIYIIKFLF-UHFFFAOYSA-N

物化性质

• 熔点：
  42-43 °C
• 沸点：
  303.4±21.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7,8-二氢-3-甲基-5(6H)-喹啉酮 在 sodium hydroxide 、 一水合肼 作用下， 以 二乙二醇 为溶剂， 生成 5,6,7,8-四氢-3-甲基喹啉
  参考文献：
  名称：

  Preparation of quinoline derivatives

  摘要：

  一种制备5-氧代四氢喹啉的新工艺，包括将式II化合物与式III的##STR1## 化合物缩合，以获得式I的化合物，其中R、R.sup.1、R.sup.2和R.sup.3从氢和低碳基中选择。式I的化合物是制药中间体。

  公开号：

  US04092317A1
• 作为产物：
  描述：

  3-amino-2-methyl-acrolein 、 3-氨基-2-环己烯-1-酮 以 甲苯 为溶剂， 以4%的产率得到7,8-二氢-3-甲基-5(6H)-喹啉酮
  参考文献：
  名称：

  Preparation of quinoline derivatives

  摘要：

  一种制备5-氧代四氢喹啉的新工艺包括将式II的化合物与式III的化合物缩合，以获得式I的化合物，其中R、R.sup.1、R.sup.2和R.sup.3从氢或烷基、芳烷基或芳基中选择，Y为NH.sub.2或OH伴随着一个乙烯键，或者Y为酮基且双键不存在，A是1-4个碳原子的氨基或低烷氧基，其中至少一个是氨基。式I的化合物是药物的中间体。

  公开号：

  US03998831A1

文献信息

• [EN] SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE BÊTA-SÉCRÉTASE DE TYPE SPIROPYRROLIDINE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK SHARP & DOHME

  公开号：WO2010094242A1

  公开（公告）日：2010-08-26

  The present invention is directed to spiropyrrolidine compounds of formula (I) which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及式(I)的螺环吡咯烷化合物，它们是β-分泌酶的抑制剂，并且在治疗涉及β-分泌酶的疾病，如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗涉及β-分泌酶的这类疾病中使用这些化合物和组合物。
• Benzimidazolyl-thio-tetrahydroquinolines and anti-peptic ulcer
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04738970A1

  公开（公告）日：1988-04-19

  Novel tetrahydroquinoline derivatives and salts thereof and novel imidazopyridine derivatives and salts thereof, both having excellent anti-peptic ulcer activities, and are useful as treating agents for peptic ulcers such as gastric ulcer, duodenum ulcer and the like.

  这是一段关于新型四氢喹啉衍生物及其盐和新型咪唑吡啶衍生物及其盐的介绍，它们都具有出色的抗消化性溃疡活性，可用作治疗胃溃疡、十二指肠溃疡等消化性溃疡的治疗剂。
• Imidazopyridyl-alkylthio-pyridines and anti-peptic ulcer compositions
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04880815A1

  公开（公告）日：1989-11-14

  Novel tetrahydroquinoline derivatives and salts thereof and novel imidazopyridine derivatives and salts thereof, both having excellent anti-peptic ulcer activities, and are useful as treating agents for peptic ulcers such as gastric ulcer, duodenum ulcer and the like.

  新型四氢喹啉衍生物及其盐和新型咪唑吡啶衍生物及其盐，均具有优异的抗消化性溃疡活性，并可用作治疗胃溃疡、十二指肠溃疡等消化性溃疡的治疗剂。
• 6-aryl-(methyl - or methylidone)-quinoline derivatives as voltage-gated
  申请人：——

  公开号：US05753676A1

  公开（公告）日：1998-05-19

  This invention concerns a compound of generic formula: ##STR1## or a pharmaceutically acceptable salt thereof, where the dotted lines represent optional bonds, R.sup.3 is an optionally substituted C.sub.6 -C.sub.10 aryl or heteroaryl group; optionally substituted by one or more substituents the same or different, R' represents one or more optional substituents the same or different, selected from the following: halogen, C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.7 alkoxycarbonyl, C.sub.1 -C.sub.6 hydroxyalkyl, CN, aminocarbonyl, C.sub.2 -C.sub.7 alkanoyloxy(C.sub.1 -C.sub.6 )alkyl, carboxy, C.sub.2 -C.sub.7 alkanoxylamino, optionally substituted C.sub.6 -C.sub.10 or heteroaryl or an optionally substituted (C.sub.6 -C.sub.10 aryl)alkyl or a heteroaryl alkyl radical; and R" represents one or more optional mono- or di- valent substituents in the 5, 7 or 8 positions the same or different: monovalent substituents being selected from the following: C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.7 alkanoyloxy, hydroxy, amino, C.sub.2 -C.sub.7 alkanoylamino, C.sub.1 -C.sub.6 alkylamino, C.sub.1 -C.sub.6 hydroxalkyl, C.sub.7 -C.sub.17 aralkyloxyamino, R" can also represent hydroxy in the 6 position (when the optional bond is absent); the di-valent substituents being selected from oxo (i.e .dbd.O) and methylene (i.e .dbd.CH.sub.2); and the N-oxides thereof, which compounds have pharmaceutical uses conferred by their ability to block voltage gated potassium channels.

  这项发明涉及通式为：##STR1##或其药学上可接受的盐，其中虚线表示可选键，R.sup.3是一个可选取代的C.sub.6-C.sub.10芳基或杂芳基基团；可选地由一个或多个相同或不同的取代基取代，R'代表以下一种或多种可选的相同或不同的取代基：卤素，C.sub.1-C.sub.6烷基，C.sub.2-C.sub.7烷氧羰基，C.sub.1-C.sub.6羟基烷基，CN，氨基羰基，C.sub.2-C.sub.7脂肪酰氧（C.sub.1-C.sub.6）烷基，羧基，C.sub.2-C.sub.7烷氧基氨基，可选取代的C.sub.6-C.sub.10或杂芳基或可选取代的（C.sub.6-C.sub.10芳基）烷基或杂芳基烷基基团； R"代表以下一种或多种可选的单价或二价取代基，相同或不同地位于5、7或8位：单价取代基从以下一种或多种中选择：C.sub.1-C.sub.6烷基，C.sub.2-C.sub.7脂肪酰氧基，羟基，氨基，C.sub.2-C.sub.7脂肪酰氨基，C.sub.1-C.sub.6烷基氨基，C.sub.1-C.sub.6羟基烷基，C.sub.7-C.sub.17芳基烷氧基氨基，当可选键不存在时，R"还可以表示6位的羟基；二价取代基从氧代（即.dbd.O）和亚甲基（即.dbd.CH.sub.2）中选择；以及它们的N-氧化物，这些化合物具有通过阻断电压门控钾通道而赋予的药物用途。
• SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Liu Kun

  公开号：US20110306595A1

  公开（公告）日：2011-12-15

  The present invention is directed to spiropyrrolidine compounds of formula (I) which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及式(I)的螺环吡咯烷化合物，其是β-分泌酶酶的抑制剂，且在治疗β-分泌酶酶参与的疾病，如阿尔茨海默病中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在治疗β-分泌酶酶参与的疾病中的使用。

表征谱图