5,6,7,8-Tetrahydro-3,7,7-trimethylquinoline | 53400-45-6

• 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
• 英文名称: 5,6,7,8-Tetrahydro-3,7,7-trimethylquinoline
• 英文别名: 5,6,7,8-Tetrahydro-3,7,7-trimethyl-chinolin；3,7,7-Trimethyl-5,6,7,8-tetrahydroquinoline；3,7,7-trimethyl-6,8-dihydro-5H-quinoline
• CAS: 53400-45-6
• 化学式: C₁₂H₁₇N
• 分子量: 175.274
• InChiKey: FJRNTKHTMQXFJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  59-60 °C(Press: 0.2 Torr)
• 密度：
  0.951±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5,6,7,8-Tetrahydro-3,7,7-trimethylquinoline 生成 3,7,7-Trimethyl-8-oximino-5,6,7,8-tetrahydroquinoline
  参考文献：
  名称：

  Tetrahydroquinoline derivatives

  摘要：

  该发明提供了在8位被氨基团或NHCSNHR.sup.5（其中R.sup.5是氢，1-3个碳原子的烷基，可以被二烷基氨基取代；低级酰基或芳基）取代的5,6,7,8-四氢喹啉衍生物。8-氨基化合物和R.sup.5为低级酰基或芳基的化合物是中间体。其他化合物是抗溃疡剂。

  公开号：

  US03991065A1
• 作为产物：
  描述：

  3,7,7-trimethyl-7,8-dihydro-6H-quinolin-5-one 、 肼 以98%的产率得到
  参考文献：
  名称：

  CURRAN A. C. W., J. CHEM. SOC. PERKIN TRANS., PART 1 , NO 9, 975-977

  摘要：

  DOI：

文献信息

• 8-Carboxylester, and 8-carbamyl derivitives of
  申请人：John Wyeth & Brother Limited

  公开号：US04009169A1

  公开（公告）日：1977-02-22

  The invention relates to novel 5,6,7,8-tetrahydroquinoline derivatives which have a group X situated at the 8-position said group X is CONHR.sup.3, or CO.sub.2 R.sup.5 wherein R.sup.3 is hydrogen lower alkyl and R.sup.5 is hydrogen, lower alkyl or a lower aralkyl radical. The compounds are intermediates for corresponding compounds where X is CSNHR.sup.3 and these are anti-ulcer agents.

  这项发明涉及一种新颖的5,6,7,8-四氢喹啉衍生物，其在8位具有一个称为基团X的基团，其中基团X为CONHR.sup.3，或CO.sub.2R.sup.5，其中R.sup.3为氢、低碳链烷基，R.sup.5为氢、低碳链烷基或低碳链芳基基团。这些化合物是相应化合物的中间体，其中X为CSNHR.sup.3，这些化合物是抗溃疡药物。
• 8-Cyano-5,6,7,8-tetrahydroquinoline derivatives
  申请人：John Wyeth & Brother Limited

  公开号：US04011225A1

  公开（公告）日：1977-03-08

  The invention relates to novel 8-cyano-5,6,7,8-tetrahydroquinoline derivatives which are intermediates for the preparation of corresponding 8-thioamides. Some of the 8-cyano compounds are anti-ulcer agents.

  这项发明涉及一种新型的8-氰基-5,6,7,8-四氢喹啉衍生物，这些衍生物是制备相应的8-硫代酰胺的中间体。其中一些8-氰基化合物是抗溃疡药物。
• Cyclopenteno[b]pyridine derivatives
  申请人：John Wyeth & Brother Limited

  公开号：US04029668A1

  公开（公告）日：1977-06-14

  The invention relates to novel cyclopenteno[b]pyridine derivatives which have a group X on the 7-position and related tricyclic compounds. X is CONHR.sup.3, or CO.sub.2 R.sup.5 wherein R.sup.3 is hydrogen or lower alkyl and R.sup.5 is hydrogen or a lower alkyl or lower aralkyl group which may be substituted by alkyl, alkoxy, halogen, nitro or trifluoromethyl; other substituents may be present. The compounds are intermediates for compounds wherein X is CSNHR.sup.3 which are anti-ulcer agents.

  该发明涉及具有7-位上的X基团的新型环戊烯基吡啶衍生物及相关的三环化合物。X为CONHR.sup.3，或CO.sub.2R.sup.5，其中R.sup.3为氢或较低的烷基，R.sup.5为氢或较低的烷基或较低的芳基烷基，可能被烷基、烷氧基、卤素、硝基或三氟甲基取代；其他取代基可能存在。这些化合物是X为CSNHR.sup.3的化合物的中间体，这些化合物是抗溃疡药物。
• Certain 5,6,7,8-tetrahydroquinoline-8-thiocarboxamides
  申请人：John Wyeth & Brother Ltd.

  公开号：US04085215A1

  公开（公告）日：1978-04-18

  The invention relates to novel pyridine derivatives which have a fused 5,6, or 7-membered saturated hydrocarbon ring adjacent to the nitrogen of the pyridine ring, and a group X situated on said hydrocarbon ring and separated by one carbon atom from the pyridine nitrogen atom, said group X is cyano, CONHR.sup.3, CSNHR.sup.3 or CO.sub.2 R.sup.5 wherein R.sup.3 is selected from hydrogen, lower alkyl and lower aralkyl radicals and R.sup.5 is selected from hydrogen, lower alkyl and lower aralkyl radicals which may be substituted by alkyl, alkoxy, halogen, nitro or trifluoromethyl; other substituents may be present. Compounds wherein X is CSNHR.sup.3 are anti-ulcer agents and the other compounds are intermediates therefor.

  该发明涉及具有与吡啶环的氮相邻的融合的5、6或7成员饱和碳氢环的新型吡啶衍生物，以及位于所述碳氢环上并且与吡啶氮原子相隔一个碳原子的基团X，所述基团X为氰基、CONHR.sup.3、CSNHR.sup.3或CO.sub.2R.sup.5，其中R.sup.3从氢、较低的烷基和较低的芳基烷基基团中选择，R.sup.5从氢、较低的烷基和较低的芳基烷基基团中选择，可以被烷基、烷氧基、卤素、硝基或三氟甲基取代；其他取代基也可以存在。其中X为CSNHR.sup.3的化合物是抗溃疡剂，其他化合物是其中间体。
• Synthesis and Antiinflammatory Activity of Certain 5,6,7,8-Tetrahydroquinolines and Related Compounds
  作者：William Calhoun、Richard P. Carlson、Roger Crossley、Louis J. Datko、Scott Dietrich、Kenneth Heatherington、Lisa A. Marshall、Peter J. Meade、Albert Opalko、Robin G. Shepherd

  DOI：10.1021/jm00009a008

  日期：1995.4

  8-tetrahydroquinolines, which have good antiulcer activity, led to three distinct classes of compounds with good in vivo antiinflammatory activity. Initial efforts led to a series of alkenes derived from 5,6,7,8-tetrahydroquinolines substituted at the 8-position. A second approach concentrated on replacing the CH linkage of these 8-benzylidene-substituted compounds with other spacer groups and increasing the

  具有良好抗溃疡活性的一些8-亚苄基-5,6,7,8-四氢喹啉的修饰导致具有良好体内抗炎活性的三类化合物。最初的努力导致了一系列衍生自在8位上取代的5,6,7,8-四氢喹啉的烯烃。第二种方法集中于用其他间隔基团取代这些8-亚苄基取代的化合物的CH键，并将环烷基环的尺寸从六元环增加到七元环，从而提供6,7,8,9-四氢-5H-环庚[b]吡啶类似物。最后，将取代基从环烷基环切换到吡啶环的2-位。还检查了2-取代基的变化。