ethyl 3-methyl-4-cyano-3-butenoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-methyl-4-cyano-3-butenoate
• 英文别名: ethyl 3-(cyanomethylene)butyrate；Ethyl4-cyano-3-methylbut-3-enoate；ethyl (E)-4-cyano-3-methylbut-3-enoate
• 化学式: C₈H₁₁NO₂
• 分子量: 153.181
• InChiKey: WMCPTBJPTGUIFX-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-methyl-4-cyano-3-butenoate 在 Rh/Al₂O₃ 氢气 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 2-(甲基氨基)-4-甲基-3,4,5,6-四氢吡啶
  参考文献：
  名称：

  环脒水解中缺乏立体电子控制

  摘要：

  L'hydrolyse de trois camides cycliques a 6 chainons donne essentiellement unaminoamide (produit de decyclisation) et seulement 3,9% de lactame (produit theorique)。Par contre l'hydrolyse de trois amidines cycliques a 5 ou 7 chainons donne environment 50% de内酰胺

  DOI：

  10.1021/ja00279a055

文献信息

• Nitrogen-containing heterocyclic ring derivatives and analgesic and
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04288438A1

  公开（公告）日：1981-09-08

  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, and the pharmacologically acceptable non-toxic salts thereof. The compounds described above are strong analgesic anti-inflammatory agents.

  根据下面的公式所示的新型含氮杂环化合物，其中R.sub.1和R.sub.2中的一个代表低烷基基团、苯基、卤苯基或低烷氧基苯基，另一个代表氢原子、低烷基基团或苯低烷基基团；所述的R.sub.1和R.sub.2可以结合在一起形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、低烷基基团、苯基或苯低烷基基团；X代表氧原子、硫原子、亚胺基团或由##STR2##所示的基团（其中m代表1或2，R.sub.4代表低烷基基团、羟基低烷基基团、环烷基团或苯基低烷基基团）；Y代表乙烯基，可以被低烷基基团、三亚甲基基团、四亚甲基基团、乙烯基取代，或者##STR3##（其中R.sub.5代表氢原子、低烷基基团、三氟甲基基团或苯基）；当R.sub.1和R.sub.2中的一个是低烷基基团，另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，以及其药理学上可接受的无毒盐。上述描述的化合物是强效的镇痛抗炎药物。
• Novel fused derivatives of 2-pyridones
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04186200A1

  公开（公告）日：1980-01-29

  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, and the pharmacologically acceptable non-toxic salts thereof. The compounds described above are strong analgesic anti-inflammatory agents.

  根据以下公式所示的新颖含氮杂环化合物：其中R.sub.1和R.sub.2中的一个代表较低的烷基基团、苯基、卤苯基团或较低的烷氧基苯基团，另一个代表氢原子、较低的烷基基团或苯较低的烷基基团；所述的R.sub.1和R.sub.2可以结合在一起形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、较低的烷基基团、苯基或苯较低的烷基基团；X代表氧原子、硫原子、亚胺基团或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表较低的烷基基团、羟基较低的烷基基团、环烷基基团或苯较低的烷基基团；Y代表一个乙烯基，可以被较低的烷基基团取代，一个三亚甲基基团，一个四亚甲基基团，一个乙烯基可以被较低的烷基基团取代，或者##STR3##其中R.sub.5代表氢原子、较低的烷基基团、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基团，另一个是氢原子时，X是由##STR4##所示的基团，Y是一个乙烯基，以及其药理学上可接受的无毒盐。上述化合物是强镇痛抗炎剂。
• KUBO KAZUO; ITO NORIKI; ISOMURA YASUO; SOZU ISAO; HOMMA HIROSHIGE; MURAKA+, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1979, 99, NO 8, 78+
  作者：KUBO KAZUO、 ITO NORIKI、 ISOMURA YASUO、 SOZU ISAO、 HOMMA HIROSHIGE、 MURAKA+

  DOI：——

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

  DOI：——

  日期：——
• US4186200A
  申请人：——

  公开号：US4186200A

  公开（公告）日：1980-01-29