methyl-4-[3-(1-piperidylmethyl)-phenoxy]-butyrimidate | 88023-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: methyl-4-[3-(1-piperidylmethyl)-phenoxy]-butyrimidate
• 英文别名: Methyl 4-{3-[(piperidin-1-yl)methyl]phenoxy}butanimidate；methyl 4-[3-(piperidin-1-ylmethyl)phenoxy]butanimidate
• CAS: 88023-01-2
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: OFCIVGGOSSVGBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl-4-[3-(1-piperidylmethyl)-phenoxy]-butyrimidate 生成 4-[3-(Piperidin-1-ylmethyl)phenoxy]butanimidamide;hydrochloride
  参考文献：
  名称：

  YANAGISAVA, ISAO;OTA, MITSUAKI;TAKAGI, TOKUITI

  摘要：

  DOI：

文献信息

• Pyridine-pyrimidinone derivatives, a process for their production and
  申请人：Ludwig Heumann & Co. GmbH

  公开号：US04559344A1

  公开（公告）日：1985-12-17

  The invention relates to new pyridine-pyrimidinone derivatives corresponding to the following general formula ##STR1## wherein R.sup.1 represents linear C.sub.1-6 alkyl or cycloalkyl and R.sup.2 represents linear C.sub.1-6 alkyl or R.sup.1 and R.sup.2 together with the nitrogen atom form a pyrrolidine or piperidine ring; Alk represents a linear alkylene chain C.sub.1-6 ; Q represents a benzene ring, furan ring, thiophene ring or thiazole ring; X represents oxygen, Y is a single bond and m is 2, 3 or 4 when Q represents benzene; X represents methylene, Y represents sulfur and m is 2 or 3 when Q is furan, thiophene or thiazole; and R.sup.3 represents a hydrogen atom or a lower alkyl group. These compounds show improved H.sub.2 -antagonistic activity.

  该发明涉及与以下一般式相对应的新吡啶-嘧啶酮衍生物 ##STR1## 其中R.sup.1代表线性C.sub.1-6烷基或环烷基，R.sup.2代表线性C.sub.1-6烷基或R.sup.1和R.sup.2与氮原子一起形成吡咯烷或哌嗪环；Alk代表线性烷基链C.sub.1-6；Q代表苯环、呋喃环、噻吩环或噻唑环；X代表氧，Y是单键，当Q代表苯时，m为2、3或4；X代表亚甲基，Y代表硫，当Q为呋喃、噻吩或噻唑时，m为2或3；R.sup.3代表氢原子或低烷基基团。这些化合物显示出改善的H.sub.2-拮抗活性。
• Pyrimidone compounds, their preparation, and pharmaceutical compositions containing them
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0086647A2

  公开（公告）日：1983-08-24

  Novel pyrimidones of the formula I and salts thereof are gastric acid secretion inhibitors and some have other medical utility: wherein R1 represents a hydrogen atom, a C1 to C10 alkyl group, a C1 to C5 alkenyl group, a C1 to C5 alkinyl group, a phenyl group, a cycloalkylmethyl group, an unsubstituted or R3 substituted aralkyl group, or the group -A-N wherein A R4 represents a C1 to C5 alkylene group and R3 and R4 are the same or different C1 to C5 alkyl groups or combine to form with the adjacent nitrogen atom a piperidine or pyrrolidine ring; R2 represents a hydrogen atom, a C1 to C5 alkyl group or a trifluoromethyl group; Y represents a heterocyclic group of the formula: or wherein R represents a hydrogen atom or a C1 to C5 alkyl group; B represents an oxygen atom or a sulfur atom; m represents zero or an integer of 1 to 3; and n represents an integer of 1 to 3. Methods and novel intermediates for their preparation are disclosed, as well as medicaments containing them and medical treatments using them.

  式 I 的新型嘧啶酮及其盐类是胃酸分泌抑制剂，有些还具有其他医疗用途： 其中 R1 代表氢原子、C1 至 C10 烷基、C1 至 C5 烯基、C1 至 C5 烷基、苯基、环烷基甲基、未取代或 R3 取代的芳基，或基团 -A-N 其中 A R4 代表 C1 至 C5 亚烷基，R3 和 R4 是相同或不同的 C1 至 C5 烷基，或与相邻的氮原子结合形成哌啶或吡咯烷环；R2 代表氢原子、C1 至 C5 烷基或三氟甲基； Y 代表式中的杂环基团： 或 其中R代表氢原子或C1至C5烷基；B代表氧原子或硫原子；m代表零或1至3的整数；n代表1至3的整数。 本发明公开了用于制备它们的方法和新型中间体，以及含有它们的药物和使用它们的医疗方法。
• Pyrimidone compounds, their preparation and pharmaceutical compositions containing them
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0173377A2

  公开（公告）日：1986-03-05

  57 Novel pyrimidones of the formula I and salts thereof are gastric acid secretion inhibitors and some have other medical utility: wherein R, represents a hydrogen atom, a C, to C10 alkyl group, a C, to Cs alkenyl group, a C1 to Cs alkinyl group, a phenyl group, a cycloalkylmethyl group, or an unsubstituted or substituted aralkyl group; R2 represents a hydrogen atom, a C1 to C5 alkyl group or a trifluoromethyl group; Y represents a heterocyclic group of the formula: wherein R represents a hydrogen atom or a C, to C5 alkyl group; B represents an oxygen atom or a sulfur atom: m represents zero or an integer of 1 to 3; and n represents an integer of 1 to 3. Methods and novel intermediates for their preparation are disclosed, as well as medicaments containing them and medical treatments using them

  57 式 I 的新型嘧啶酮及其盐类是胃酸分泌抑制剂，有些还有其他医疗用途： 其中 R 代表氢原子、C, to C10 烷基、C, to Cs 烯基、C1 to Cs 烷基、苯基、环烷基甲基或未取代或取代的芳基；R2 代表氢原子、C1 to C5 烷基或三氟甲基；Y 代表式 I 的杂环基团： 其中 R 代表氢原子或 C 至 C5 烷基；B 代表氧原子或硫原子；m 代表零或 1 至 3 的整数；以及 n 代表 1 至 3 的整数。 公开了用于制备它们的方法和新型中间体，以及含有它们的药物和使用它们的医疗方法
• Acylacetate and amidine intermediates for pyrimidone compounds, and their preparation
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0180745A1

  公开（公告）日：1986-05-14

  Compounds of formulae II and III below are useful as intermediates for the preparation of pyrimidones of formula I below which are gastric acid secretion inhibitors and have other medical utilitv: wherein R, represents a hydrogen atom, an alkyl group, a lower alkenyl group, a lower alkinyl group, a phenyl group, a cycloalkylmethyl group, an unsubstituted or substituted aralkyl group, or the group wherein A represents a lower alkylene group and R3 and R. are the same or different lower alkyl groups or combine to form with the adjacent nitrogen atom a piperidine or pyrrolidine ring; R2 represents a hydrogen atom, a lower alkyl group or a trifluoromethyl group; Y represents a heterocyclic group of the formula: or wherein R represents a hydrogen atom or a lower alkyl group; B represents an oxygen atom or a sulfur atom; m represents zero or an integer of 1 to 3; and n represents an integer of 1 to 3.

  下式 II 和 III 的化合物可用作制备下式 I 的嘧啶酮的中间体，下式 I 的嘧啶酮是胃酸分泌抑制剂，并具有其他医疗用途： 其中 R 代表氢原子、烷基、低级烯基、低级烷基、苯基、环烷基甲基、未取代或取代的芳基或基团 其中 A 代表低级亚烷基，R3 和 R. 是相同或不同的低级烷基，或与相邻的氮原子结合形成哌啶或吡咯烷环；R2 代表氢原子、低级烷基或三氟甲基；Y 代表式中的杂环基团： 或 其中 R 代表氢原子或低级烷基；B 代表氧原子或硫原子；m 代表零或 1 至 3 的整数；n 代表 1 至 3 的整数。
• YANAGISAVA, ISAO;OTA, MITSUAKI;TAKAGI, TOKUITI
  作者：YANAGISAVA, ISAO、OTA, MITSUAKI、TAKAGI, TOKUITI

  DOI：——

  日期：——