9-甲基-3,4-二氢-2H-1,5-苯并二氧杂卓-6-羧酸 | 819800-59-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 9-甲基-3,4-二氢-2H-1,5-苯并二氧杂卓-6-羧酸
• 英文名称: 9-Methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
• CAS: 819800-59-4
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: AGSKKUWEJDDAPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 3,4-dihydro-9-methoxy-2H-1,5-benzodioxepin-6-carboxylate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 9-甲基-3,4-二氢-2H-1,5-苯并二氧杂卓-6-羧酸
  参考文献：
  名称：

  [EN] AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS
  [FR] AMINOSULFONYLE SUBSTITUE 4-(AMINOMETHYLE)-PIPERIDINE BENZAMIDES UTILISE COMME 5HT4-ANTAGONISTES

  摘要：

  本发明涉及具有5HT4-拮抗性质的式（I）的新化合物。该发明还涉及制备这种新化合物的方法，包括这些新化合物的药物组合物以及这些化合物作为药物的用途。

  公开号：

  WO2005000837A1

文献信息

• [EN] HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES SUBSTITUES PAR DES HETEROCYCLES, UTILISES COMME ANTAGONISTES DES RECEPTEURS 5HT4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005003124A1

  公开（公告）日：2005-01-13

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括这些新化合物的药用组合物以及这些化合物作为药物的用途。
• [EN] HYDROXYCARBONYLPHENYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES SUBSTITUES PAR HYDROXYCARBONYLPHENYLE, UTILISES COMME ANTAGONISTES DES RECEPTEURS 5HT4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005003121A1

  公开（公告）日：2005-01-13

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括该新化合物的药物组合物以及该化合物的药用。
• [EN] 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES ANTAGONISTES DES RECEPTEURS 5HT4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005003122A1

  公开（公告）日：2005-01-13

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括该新化合物的药物组合物以及该化合物作为药物的用途。
• 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides
  申请人：Bosmans Rene Marie Andre Jean-Paul

  公开号：US20070032486A1

  公开（公告）日：2007-02-08

  The present invention is concerned with novel compounds of formula (I) having 5HT 4 -antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4-拮抗性质的式（I）新化合物。本发明还涉及制备这种新化合物的方法、包含所述新化合物的药物组合物以及将所述化合物用作药物的用途。
• Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists
  申请人：Bosmans René Marie André Jean-Paul

  公开号：US20070197600A1

  公开（公告）日：2007-08-23

  The present invention is concerned with novel compounds of formula (I) having 5HT 4 -antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的化合物(I)的新颖化合物。本发明还涉及制备这种新颖化合物的方法，含有该新颖化合物的药物组合物以及该化合物作为药物的使用。