2,5-dihydrobenzo[b]oxepin-9-carboxyaldehyde | 1213775-27-9

• 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: 2,5-dihydrobenzo[b]oxepin-9-carboxyaldehyde
• 英文别名: 2,5-Dihydro-1-benzoxepine-9-carbaldehyde；2,5-dihydro-1-benzoxepine-9-carbaldehyde
• CAS: 1213775-27-9
• 化学式: C₁₁H₁₀O₂
• 分子量: 174.199
• InChiKey: CRKHYPCGUIVXKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,5-dihydrobenzo[b]oxepin-9-carboxyaldehyde 在 palladium on activated charcoal 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 Ethyl 3-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propanoate
  参考文献：
  名称：

  Synthesis of 1-Indanonyl Oxepanes

  摘要：

  A variety of 1-indanonyl oxepanes with the novel structure of indanonyl oxepanes was prepared from reaction of hydroxy-benzaldehydes via a series of reasonable transformations, including the regioselective PhBCl2-mediated allylation (or Claisen rearrangement), one-pot reaction of ring-closing metathesis and the Wittig olefination, hydrogenation, and the Friedel-Crafts intramolecular cyclization.

  DOI：

  10.1055/s-0031-1290304
• 作为产物：
  描述：

  3-烯丙基-2-羟基苯甲醛 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 2,5-dihydrobenzo[b]oxepin-9-carboxyaldehyde
  参考文献：
  名称：

  Synthesis of 1-Indanonyl Oxepanes

  摘要：

  A variety of 1-indanonyl oxepanes with the novel structure of indanonyl oxepanes was prepared from reaction of hydroxy-benzaldehydes via a series of reasonable transformations, including the regioselective PhBCl2-mediated allylation (or Claisen rearrangement), one-pot reaction of ring-closing metathesis and the Wittig olefination, hydrogenation, and the Friedel-Crafts intramolecular cyclization.

  DOI：

  10.1055/s-0031-1290304

文献信息

• 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME
  申请人：Nakashima Hisashi

  公开号：US20100075943A1

  公开（公告）日：2010-03-25

  It is to provide a novel compound useful for preventing and/or treating diseases that involves 11β-hydroxysteroid dehydrogenase 1, particularly diabetes, insulin resistance, diabetes complication, obesity, dyslipidemia, hypertension, fatty liver, or metabolic syndrome. It is an 1-adamantyl azetidin-2-one derivative represented by the following general formula (1) or salt thereof, or their solvate. [wherein A ring represents C 6-10 aryl group, 5- to 14-membered heteroaryl group, R 1 is a hydrogen atom, halogen atom, C 1-6 alkoxycarbonyl group, hydroxyl group, carboxyl group or carbamoyl group; R 2 and R 3 are the same or different and are a C 1-6 alkyl group; R 4 , R 5 , and R 6 are same or different, and are a hydrogen atom, halogen atom, C 1-6 alkyl group, C 1-6 alkoxy group, C 6-10 aryl group, or R 4 and R 5 , or R 5 and R 6 may together form a C 1-3 alkylenedioxy group, R 7 and R 8 are the same of different and represent a hydrogen atom or C 1-6 alkyl group, or may together form a C 3-6 cyclic hydrocarbon group, n represents an integer of 0 or 1]

  这是提供一种新型化合物，用于预防和/或治疗涉及11β-羟基类固醇脱氢酶1的疾病，特别是糖尿病、胰岛素抵抗、糖尿病并发症、肥胖、血脂异常、高血压、脂肪肝或代谢综合征的化合物。它是由以下通用式（1）代表的1-金刚烷基氮杂环丙酮衍生物，或其盐，或它们的溶剂。【其中，A环代表C6-10芳基，5-至14-成员杂芳基，R1是氢原子，卤原子，C1-6烷氧羰基，羟基，羧基或氨基羰基；R2和R3相同或不同，是C1-6烷基；R4、R5和R6相同或不同，是氢原子，卤原子，C1-6烷基，C1-6烷氧基，C6-10芳基，或R4和R5，或R5和R6可以一起形成C1-3烷二氧基基团，R7和R8相同或不同，代表氢原子或C1-6烷基，或者可以一起形成C3-6环烃基团，n表示0或1的整数】。
• 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME
  申请人：Kowa Company, Ltd.

  公开号：EP2322505A1

  公开（公告）日：2011-05-18

  It is to provide a novel compound useful for preventing and/or treating diseases that involves 11β-hydroxysteroid dehydrogenase 1, particularly diabetes, insulin resistance, diabetes complication, obesity, dyslipidemia, hypertension, fatty liver, or metabolic syndrome. It is an 1-adamantyl azetidin-2-one derivative represented by the following general formula (1) or salt thereof, or their solvate. [wherein A ring represents C6-10 aryl group, 5- to 14-membered heteroaryl group, R1 is a hydrogen atom, halogen atom, C1-6 alkoxycarbonyl group, hydroxyl group, carboxyl group or carbamoyl group; R2 and R3 are the same or different and are a C1-6 alkyl groups R4, R5, and R6 are same or different, and are a hydrogen atom, halogen atom, C1-6 alkyl group, C1-6 alkoxy group, C6-10 aryl group, or R4 and R5, or R5 and R6 may together form a C1-3 alkylenedioxy group, R7 and R8 are the same of different and represent a hydrogen atom or C1-6 alkyl) group, or may together form a C3-6 cyclic hydrocarbon group, n represents an integer of 0 or 1]

  本发明旨在提供一种新型化合物，用于预防和/或治疗涉及 11β- 羟基类固醇脱氢酶 1 的疾病，特别是糖尿病、胰岛素抵抗、糖尿病并发症、肥胖症、血脂异常、高血压、脂肪肝或代谢综合征。它是由以下通式（1）代表的 1-金刚烷基氮杂环丁烷-2-酮衍生物或其盐，或它们的溶解物。 [其中 A 环代表 C6-10 芳基、5-14 元杂芳基，R1 是氢原子、卤素原子、C1-6 烷氧羰基、羟基、羧基或氨基甲酰基；R4、R5 和 R6 相同或不同，是氢原子、卤素原子、C1-6 烷基、C1-6 烷氧基、C6-10 芳基，或 R4 和 R5，或 R5 和 R6 可共同形成 C1-3 烷二氧基，R7 和 R8 相同或不同，代表氢原子或 C1-6 烷基，或可共同形成 C3-6 环烃基，n 代表 0 或 1 的整数]。
• US8236789B2
  申请人：——

  公开号：US8236789B2

  公开（公告）日：2012-08-07
• Synthesis of 1-Indanonyl Oxepanes
  作者：Meng-Yang Chang、Nien-Chia Lee

  DOI：10.1055/s-0031-1290304

  日期：2012.4

  A variety of 1-indanonyl oxepanes with the novel structure of indanonyl oxepanes was prepared from reaction of hydroxy-benzaldehydes via a series of reasonable transformations, including the regioselective PhBCl2-mediated allylation (or Claisen rearrangement), one-pot reaction of ring-closing metathesis and the Wittig olefination, hydrogenation, and the Friedel-Crafts intramolecular cyclization.