3-isopropylamino-1-benzoxepin-5(2H)-one | 77956-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 3-isopropylamino-1-benzoxepin-5(2H)-one
• 英文别名: 3-(propan-2-ylamino)-2H-1-benzoxepin-5-one
• CAS: 77956-38-8
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: WEKXQGDORHTOLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-isopropylamino-1-benzoxepin-5(2H)-one 、 氰基硼氢化钠 生成 3-(propan-2-ylamino)-3,4-dihydro-2H-1-benzoxepin-5-one
  参考文献：
  名称：

  KAUPMANN, W.;OHLENDORF, H. W.;WOLF, K. -U., EUR. J. MED. CHEM., 1985, 20, N 3, 207-212

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-乙酰基苯氧基)乙酸甲酯 在 甲酸 sodium hydride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 生成 3-isopropylamino-1-benzoxepin-5(2H)-one
  参考文献：
  名称：

  Kaupman; Ohlendorf; Wolf, European Journal of Medicinal Chemistry, 1985, vol. 20, # 3, p. 207 - 212

  摘要：

  DOI：

文献信息

• 1-Benzoxepin-5 (2H)-one derivatives and pharmaceutical compositions
  申请人：Kali-Chemie Pharma GmbH

  公开号：US04279905A1

  公开（公告）日：1981-07-21

  Novel, 3-amino-1-benzoxepin-5 (2H)-one derivatives and methods for their production are disclosed. These derivatives correspond to the Formula I: ##STR1## wherein: R.sub.1 and R.sub.2 independently of one another are hydrogen, C.sub.1 -C.sub.5 alkyl, C.sub.1 -C.sub.5 alkyl substituted with a terminal phenyl, or a phenyl containing one or two halogens, methyl or methoxy groups, a 3,4-methylenedioxy or a 3,4-ethylenedioxy group, C.sub.2 -C.sub.5 alkyl substituted with terminal hydroxy or methoxy or, C.sub.3 -C.sub.4 alkenyl; or one of R.sub.1 and R.sub.2 are hydrogen or a C.sub.1 -C.sub.5 alkyl and the other is a C.sub.2 -C.sub.5 alkyl substituted with a terminal NR.sub.5 R.sub.6 ; R.sub.5 and R.sub.6 independently of one another are hydrogen or C.sub.1 -C.sub.5 alkyl; or R.sub.5 and R.sub.6 are together a 5 to 7 member ring, or R.sub.5 and R.sub.6 are together a 5 to 7 member ring having heterogeneous oxygen, sulfur or nitrogen; R.sub.1 and R.sub.2 are together a 5 to 7 member ring, or R.sub.1 and R.sub.2 are together a 5 to 7 member ring having heterogeneous oxygen, sulfur or NR.sub.7 ; R.sub.7 is hydrogen, methyl, benzyl or phenyl; R.sub.3 and R.sub.4 independently of one another are hydrogen, halogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy or C.sub.1 -C.sub.4 alkylthio; or one of R.sub.3 and R.sub.4 is trifluoromethyl or nitro and the other is hydrogen; and the acid addition salts thereof. These compounds have a favorable effect on the treatment of spasms of the stomach-intestinal tract and, therefore, constitute the active ingredient of pharmaceutical compositions and methods for the treatment of disorders of the stomach and intestinal tract. Processes for the preparation of the derivatives and their acid addition salts and intermediate products for their preparation are also descrived.

  本文披露了小说，3-氨基-1-苯并氧杂环戊-5（2H）-酮衍生物及其生产方法。这些衍生物对应于公式I：其中：R.sub.1和R.sub.2彼此独立地为氢、C.sub.1-C.sub.5烷基、C.sub.1-C.sub.5烷基的末端取代苯基，或含有一个或两个卤素、甲基或甲氧基的苯基，3,4-亚甲二氧基或3,4-乙二氧基基团，或末端羟基或甲氧基取代的C.sub.2-C.sub.5烷基或C.sub.3-C.sub.4烯烃基；或R.sub.1和R.sub.2中的一个为氢或C.sub.1-C.sub.5烷基，另一个为末端NR.sub.5R.sub.6取代的C.sub.2-C.sub.5烷基；R.sub.5和R.sub.6彼此独立地为氢或C.sub.1-C.sub.5烷基；或R.sub.5和R.sub.6一起形成5到7环，或R.sub.5和R.sub.6一起形成具有异氧、硫或氮的5到7环；R.sub.1和R.sub.2一起形成5到7环，或R.sub.1和R.sub.2一起形成具有异氧、硫或NR.sub.7的5到7环；R.sub.7为氢、甲基、苄基或苯基；R.sub.3和R.sub.4彼此独立地为氢、卤素、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基或C.sub.1-C.sub.4烷硫基；或R.sub.3和R.sub.4中的一个为三氟甲基或硝基，另一个为氢；及其酸盐。这些化合物对治疗胃肠道痉挛有良好效果，因此构成了治疗胃肠道疾病的药物组成物的活性成分和治疗方法。还描述了用于制备这些衍生物及其酸盐和用于制备它们的中间产物的过程。
• 2,3,4,5-Tetrahydro-1-benzoxepin-3,5-dione derivatives
  申请人：Kali-Chemie Pharma GmbH

  公开号：US04320061A1

  公开（公告）日：1982-03-16

  Novel, 3-amino-1-benzoxepin-5(2H)-one derivatives and methods for their production are disclosed. These derivatives correspond to the Formula I: ##STR1## wherein: R.sub.1 and R.sub.2 independently of one another are hydrogen, C.sub.1 -C.sub.3 alkyl, C.sub.1 -C.sub.5 alkyl substituted with a terminal phenyl, or a phenyl containing one or two halogens, methyl or methoxy groups, a 3,4-methylenedioxy or a 3,4 -ethylenedioxy group, C.sub.2 -C.sub.5 alkyl substituted with terminal hydroxy or methoxy or, C.sub.3 -C.sub.4 alkenyl; or one of R.sub.1 and R.sub.2 are hydrogen or a C.sub.1 -C.sub.5 alkyl and the other is a C.sub.2 -C.sub.5 alkyl substituted with a terminal NR.sub.5 R.sub.6 ; R.sub.5 and R.sub.6 independently of one another are hydrogen or C.sub.1 -C.sub.5 alkyl; or R.sub.5 and R.sub.6 are together a 5 or 7 member ring, or R.sub.5 and R.sub.6 are together a 5 to 7 member ring having heterogeneous oxygen, sulfur or nitrogen; R.sub.1 and R.sub.2 are together a 5 to 7 member ring, or R.sub.1 and R.sub.2 are together a 5 to 7 member ring having heterogeneous oxygen, sulfur or NR.sub.7 ; R.sub.7 is hydrogen, methyl, benzyl or phenyl; R.sub.3 and R.sub.4 are independently of one another are hydrogen, halogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy or C.sub.1 -C.sub.4 alkylthio; or one of R.sub.3 and R.sub.4 is trifluoromethyl or nitro and the other is hydrogen; and the acid addition salts thereof. These compounds have a favorable effect on the treatment of spasms of the stomach-intestinal tract and, therefore, constitute the active ingredient of pharmaceutical compositions and methods for the treatment of disorders of the stomach and intestinal tract. Processes for the preparation of the derivatives and their acid addition salts and intermediate products for their preparation are also described.

  本发明涉及一种小说，公开了3-氨基-1-苯并氧杂-5（2H）-酮衍生物及其制备方法。这些衍生物对应于式I：##STR1##其中：R.sub.1和R.sub.2彼此独立地是氢，C.sub.1-C.sub.3烷基，C.sub.1-C.sub.5烷基，其末端被苯基取代，或含有一个或两个卤素，甲基或甲氧基，3,4-亚甲二氧基或3,4-乙二氧基基团，C.sub.2-C.sub.5烷基，其末端被羟基或甲氧基取代，或C.sub.3-C.sub.4烯基;或R.sub.1和R.sub.2中的一个是氢或C.sub.1-C.sub.5烷基，另一个是C.sub.2-C.sub.5烷基，其末端被NR.sub.5R.sub.6取代;R.sub.5和R.sub.6彼此独立地是氢或C.sub.1-C.sub.5烷基;或R.sub.5和R.sub.6在一起是5或7成员环，或R.sub.5和R.sub.6在一起是具有异氧、硫或氮的5到7成员环;R.sub.1和R.sub.2在一起是5到7成员环，或R.sub.1和R.sub.2在一起是具有异氧、硫或NR.sub.7的5到7成员环;R.sub.7是氢、甲基、苄基或苯基;R.sub.3和R.sub.4彼此独立地是氢、卤素、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基或C.sub.1-C.sub.4烷基硫基;或R.sub.3和R.sub.4中的一个是三氟甲基或硝基，另一个是氢;以及它们的酸加成盐。这些化合物对于治疗胃肠道痉挛具有良好的效果，因此构成了药物组合物的活性成分和治疗胃肠道疾病的方法。还描述了制备衍生物及其酸加成盐的过程和制备中间体的过程。
• 1-Benzoxepin-5(2H)-on-Derivate und ihre Salze sowie Verfahren zu deren Herstellung
  申请人：Kali-Chemie Pharma GmbH

  公开号：EP0025109A2

  公开（公告）日：1981-03-18

  Beschrieben werden 3-Amino-1 -benzoxepin-5(2H) -on-Derivate der Formel worin R1 - R4 die in den Ansprüchen angegebene Bedeutung haben, sowie deren Säureadditionssalze und Verfahren zu ihrer Herstellung. Die Verbindungen eignen sich zur Behandlung von Spasmen des Magen-Darm-Traktes

  描述了式中 R1 - R4 具有权利要求中给出的含义的 3-氨基-1-苯并氧杂卓-5(2H)-酮衍生物，以及它们的酸加成盐和制备工艺。 这些化合物适用于治疗胃肠道痉挛
• Neue 3-Amino-1-benzoxepin-Derivate und ihre Salze; Verfahren zu deren Herstellung und diese Verbindungen enthaltende Arzneimittel
  申请人：Kali-Chemie Pharma GmbH

  公开号：EP0024560B1

  公开（公告）日：1983-04-13
• US4279905A
  申请人：——

  公开号：US4279905A

  公开（公告）日：1981-07-21