2-(1-benzyl-1,2,3,4-tetrahydro-2,2-dimethylquinolin-6-yl)propionic acid

• 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: 2-(1-benzyl-1,2,3,4-tetrahydro-2,2-dimethylquinolin-6-yl)propionic acid
• 英文别名: 2-(1-benzyl-2,2-dimethyl-3,4-dihydroquinolin-6-yl)propanoic acid
• 化学式: C₂₁H₂₅NO₂
• 分子量: 323.435
• InChiKey: YXCFNIBCFCLKNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-benzyl-1,2,3,4-tetrahydro-2,2-dimethylquinolin-6-yl)propionic acid 、 4-氯苯甲醇 在 sodium chloride 、 对甲苯磺酸 作用下， 以 乙酸乙酯 、 苯 为溶剂， 生成 4-chlorobenzyl 2-(1-benzyl-1,2,3,4-tetrahydro-2,2-dimethylquinolin-6-yl)propionate
  参考文献：
  名称：

  1,2 Dihydro- and 1,2,3,4-tetrahydro quinolylacetic acids and analgesic

  摘要：

  化合物的结构式 (I)：##STR1## 其中 R.sub.1 是从氢原子、具有 1 到 4 个碳原子的较低烷基基团，以及具有取代基的芳基的 1 到 4 个碳原子的较低烷基基团中选择的成员；R.sub.2 是从氢原子和具有 1 到 4 个碳原子的较低烷基基团中选择的成员；R.sub.3 是从氢、卤素原子、具有 1 到 8 个碳原子的烷基基团和具有 2 到 8 个碳原子的烯基基团中选择的成员；R.sub.4 和 R.sub.5，可进行环化，分别是从氢原子和具有 1 到 4 个碳原子的较低烷基基团中选择的成员；R.sub.6 是从氢原子、具有 1 到 8 个碳原子的烷基基团、具有 2 到 5 个碳原子的烯基基团、具有 3 到 8 个碳原子的炔基基团、芳基烷基基团、取代芳基烷基基团、脂肪或芳香族酰基团以及取代脂肪或芳香族酰基团中选择的成员；A 是从氢原子和氧代基中选择的成员；断线表示第二键或当 A 是氢原子时无键，并且当 A 是氧代基时表示无键，以及其药用盐。

  公开号：

  US04555513A1

文献信息

• New quinolylacetic acid compounds and pharmaceutical compositions containing them
  申请人：NIPPON ZOKI PHARMACEUTICAL CO. LTD.

  公开号：EP0083222A1

  公开（公告）日：1983-07-06

  Novel quinolylacetic acid compounds have the general formula in which R, is a hydrogen atom or an esterifying group, e.g. a lower alkyl group which may optionally be substituted with an aromatic group that is itself optionally substituted, R2 is a hydrogen atom or a lower alkyl group, R3 is a hydrogen or halogen atom or an alkyl or alkenyl group, each of R4 and R5, which are the same as or different from one another, is a hydrogen atom or a lower alkyl group, or R4 and R5 are joined to form a ring with the carbon atom they are both attached to, R6 is a hydrogen atom or an alkyl, alkenyl, alkynyl, aralkyl or acyl group which may optionally be substituted and A is a hydrogen atom or an oxo group, the broken line representing optional unsaturation when A is a hydrogen atom or are pharmaceutically acceptable salts of such compounds. Such compounds and salts have antipyretic, analgesic and antiinflammantory actions and are less toxic than known drugs having similar uses. They are made up with pharmaceutical compositions for administration to patients.

  新型喹啉乙酸化合物的通式为 其中 R 是氢原子或酯化基团，例如R2 是氢原子或低级烷基，R3 是氢原子或卤素原子或烷基或烯基，R4 和 R5（彼此相同或不同）各自是氢原子或低级烷基、R6是氢原子或烷基、烯基、炔基、芳基或酰基，可任选被取代，A是氢原子或氧代基团，当A是氢原子时，断线代表任选的不饱和度，或者是此类化合物的药学上可接受的盐。 此类化合物和盐具有解热、镇痛和消炎作用，毒性低于具有类似用途的已知药物。这些化合物和盐可制成药剂组合物，供患者使用。
• US4555513A
  申请人：——

  公开号：US4555513A

  公开（公告）日：1985-11-26
• 1,2 Dihydro- and 1,2,3,4-tetrahydro quinolylacetic acids and analgesic
  申请人：Nippon Zoki Pharmaceutical Co.

  公开号：US04555513A1

  公开（公告）日：1985-11-26

  Novel quinolylacetic acid compounds of the formula (I): ##STR1## wherein R.sub.1 is a member selected from the group consisting of hydrogen atom, a lower alkyl group having 1 to 4 carbon atoms, and a lower alkyl group having 1 to 4 carbon atoms substituted with an aromatic group having a substituent; R.sub.2 is a member selected from the group consisting of hydrogen atom and a lower alkyl group having 1 to 4 carbon atoms; R.sub.3 is a member selected from the group consisting of hydrogen, a halogen atom, an alkyl group having 1 to 8 carbon atoms, and an alkenyl group having 2 to 8 carbon atoms; R.sub.4 and R.sub.5, carpable of cyclization, are each a member selected from the group consisting of hydrogen atom and a lower alkyl group having 1 to 4 carbon atoms; R.sub.6 is a member selected from the group consisting of hydrogen atom an alkyl group having 1 to 8 carbon atoms, an alkenyl group having 2 to 5 carbon atoms, an alkynyl group having 3 to 8 carbon atoms, an aralkyl group, a substituted aralkyl group, an aliphatic or aromatic acyl group, and a substituted aliphatic or aromatic acyl group; and A is a member selected from the group consisting of hydrogen atom and an oxo group; the broken line denoting a second bond or no bond when A is a hydrogen atom and denoting no bond when A is an oxo group, and pharmaceutically acceptable salts thereof.

  化合物的结构式 (I)：##STR1## 其中 R.sub.1 是从氢原子、具有 1 到 4 个碳原子的较低烷基基团，以及具有取代基的芳基的 1 到 4 个碳原子的较低烷基基团中选择的成员；R.sub.2 是从氢原子和具有 1 到 4 个碳原子的较低烷基基团中选择的成员；R.sub.3 是从氢、卤素原子、具有 1 到 8 个碳原子的烷基基团和具有 2 到 8 个碳原子的烯基基团中选择的成员；R.sub.4 和 R.sub.5，可进行环化，分别是从氢原子和具有 1 到 4 个碳原子的较低烷基基团中选择的成员；R.sub.6 是从氢原子、具有 1 到 8 个碳原子的烷基基团、具有 2 到 5 个碳原子的烯基基团、具有 3 到 8 个碳原子的炔基基团、芳基烷基基团、取代芳基烷基基团、脂肪或芳香族酰基团以及取代脂肪或芳香族酰基团中选择的成员；A 是从氢原子和氧代基中选择的成员；断线表示第二键或当 A 是氢原子时无键，并且当 A 是氧代基时表示无键，以及其药用盐。