3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one | 72570-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
• 英文别名: 6-oxo-3,4,7,8,9,10-hexahydro-2H,6H-1,3-thiazino[3,2-b]isoquinoline；3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
• CAS: 72570-49-1
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: XOXVYCPGPYCDKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one 、 双氧水 以39%的产率得到
  参考文献：
  名称：

  KUBO KAZUO; ITO NORIKI; ISOMURA YASUO; SOZU ISAO; HOMMA HIROSHIGE; MURAKA+, YAKUGAKU DZASSI, JAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1979, 99, NO 9, 88+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Cyanomethylene-cyclohexane-carboxylic acid ethyl ester 、 3-amino-propanethiol; hydrobromide 、 sodium acetate 以 邻二氯苯 为溶剂， 以of 6-oxo-3,4,7,8,9,10-hexahydro-2H,6H-1,3-thiazino[3,2-b]isoquinoline was obtained的产率得到3,4,7,8,9,10-hexahydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
  参考文献：
  名称：

  Novel fused derivatives of 2-pyridones

  摘要：

  该文描述了一种新型含氮杂环化合物，其化学式为 ##STR1## 其中R.sub.1和R.sub.2中的一个代表低碳基，苯基，卤代苯基或低碳基苯基，另一个代表氢原子，低碳基或苯基低碳基；R.sub.1和R.sub.2可以结合形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子，低碳基，苯基或苯基低碳基；X代表氧原子，硫原子，亚胺基或由##STR2## 所示的基团，其中m代表1或2，R.sub.4代表低碳基，羟基低碳基，环烷基或苯基低碳基；Y代表乙烯基，可以被低碳基取代，三亚甲基基团，四亚甲基基团，可以被低碳基取代的乙烯基，或者##STR3## 其中R.sub.5代表氢原子，低碳基，三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是低碳基，另一个是氢原子时，X是##STR4## ，Y是乙烯基，并且其药学上可接受的无毒盐。上述化合物是强烈的镇痛抗炎药物。

  公开号：

  US04186200A1

文献信息

• Nitrogen-containing heterocyclic compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04251533A1

  公开（公告）日：1981-02-17

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein one of R.sub.1 and R.sub.2 represents a lower alkyl group, a phenyl group, a halophenyl group, or a lower alkoxyphenyl group and the other of them represents a hydrogen atom, a lower alkyl group, or a phenyl lower alkyl group; said R.sub.1 and R.sub.2 may combine with each other to form a trimethylene group or a tetramethylene group; R.sub.3 represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl lower alkyl group; X represents an oxygen atom, a sulfur atom, an imino group, or a group shown by ##STR2## wherein m represents 1 or 2 and R.sub.4 represents a lower alkyl group, a hydroxy lower alkyl group, a cycloalkyl group or a phenyl lower alkyl group; and Y represents an ethylene group which may be substituted by lower alkyl group, a trimethylene group, a tetramethylene group, a vinylene group which may be substituted by a lower alkyl group, or ##STR3## wherein R.sub.5 represents a hydrogen atom, a lower alkyl group, a trifluoromethyl group, or a phenyl group; said X is the group shown by ##STR4## when one of said R.sub.1 and R.sub.2 is a lower alkyl group and the other is a hydrogen atom, and said Y is an ethylene group, 1/7 and the pharmacologically acceptable non-toxic salts thereof. The compounds described above are strong analgesic anti-inflammatory agents.

  以下是翻译结果： 新颖的含氮杂环化合物，其化学式为##STR1##其中R.sub.1和R.sub.2中的一个代表低碳基，苯基，卤代苯基或低烷氧基苯基，另一个代表氢原子，低碳基或苯基低碳基；R.sub.1和R.sub.2可以结合形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子，低碳基，苯基或苯基低碳基；X代表氧原子，硫原子，亚氨基团或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表低碳基，羟基低碳基，环烷基或苯基低碳基；Y代表乙烯基，可以被低碳基取代，三亚甲基基团，四亚甲基基团，可以被低碳基取代的乙烯基，或##STR3##其中R.sub.5代表氢原子，低碳基，三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是低碳基而另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，1/7和药理学上可接受的非毒性盐。上述化合物是强烈的镇痛抗炎剂。
• Nitrogen-containing heterocyclic ring derivatives
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04284778A1

  公开（公告）日：1981-08-18

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein one of R.sub.1 and R.sub.2 represents a lower alkyl group, a phenyl group, a halophenyl group, or a lower alkoxyphenyl group and the other of them represents a hydrogen atom, a lower alkyl group, or a phenyl lower alkyl group; said R.sub.1 and R.sub.2 may combine with each other to form a trimethylene group or a tetramethylene group; R.sub.3 represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl lower alkyl group; X represents an oxygen atom, a sulfur atom, an imino group, or a group shown by ##STR2## wherein m represents 1 or 2 and R.sub.4 represents a lower alkyl group, a hydroxy lower alkyl group, a cycloalkyl group or a phenyl lower alkyl group; and Y represents an ethylene group which may be substituted by a lower alkyl group, a trimethylene group, a tetramethylene group, a vinylene group which may be substituted by lower alkyl group, or ##STR3## wherein R.sub.5 represents a hydrogen atom, a lower alkyl group, a trifluoromethyl group, or a phenyl group; said X is the group shown by ##STR4## when one of said R.sub.1 and R.sub.2 is a lower alkyl group and the other is a hydrogen atom, and said Y is an ethylene group, and the pharmacologically acceptable non-toxic salts thereof. The compound described above are strong analgesic anti-inflammatory agents.

  这是一种新型含氮杂环化合物，其化学式为##STR1##其中R.sub.1和R.sub.2中的一个代表较低的烷基、苯基、卤代苯基或较低的烷氧基苯基，另一个代表氢原子、较低的烷基或苯基较低烷基；R.sub.1和R.sub.2可以结合形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、较低的烷基、苯基或苯基较低烷基；X代表氧原子、硫原子、亚胺基或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表较低的烷基、羟基较低烷基、环烷基或苯基较低烷基；Y代表乙烯基，可以被较低的烷基、三亚甲基基团、四亚甲基基团、可以被较低烷基取代的乙烯基或由##STR3##所示的基团取代；R.sub.5代表氢原子、较低的烷基、三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是较低的烷基，另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，且其药理学上可接受的无毒盐。上述化合物是强的镇痛和抗炎药物。
• US4186200A
  申请人：——

  公开号：US4186200A

  公开（公告）日：1980-01-29
• US4251533A
  申请人：——

  公开号：US4251533A

  公开（公告）日：1981-02-17
• US4284778A
  申请人：——

  公开号：US4284778A

  公开（公告）日：1981-08-18