6-phenylperhydroazepin-2-one | 112093-43-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 6-phenylperhydroazepin-2-one
• 英文别名: Phenyl-6 tetrahydro-4,5,6,7 <3H>azepinone-2；6-phenylazepan-2-one
• CAS: 112093-43-3
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: TZSJOWXUDDXVPW-UHFFFAOYSA-N

物化性质

• 沸点：
  384.3±31.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-phenylperhydroazepin-2-one 在 五氯化磷 、 溴 、 碘 、 sodium thiosulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 3-bromo-6-phenylperhydroazepin-2-one
  参考文献：
  名称：

  Lactam derivatives and their use as hypotensive agents

  摘要：

  式(I)的化合物：##STR1##（其中R.sup.1和R.sup.3是有机基团，A是直接键，-CH.sub.2-，-CH.sub.2 CH.sub.2-，-CO-CH.sub.2-，-O-CH.sub.2-或-S-CH.sub.2-，B是低碳烷基，n为1-3）是有价值的降压剂，可以通过相应的具有3-位氨基的化合物的缩合反应制备。

  公开号：

  US04734410A1
• 作为产物：
  描述：

  Phenyl-5 cyano-5 pentanoate d'ethyle 在 镍 氢气 作用下， 生成 6-phenylperhydroazepin-2-one
  参考文献：
  名称：

  Langlois, Michel; Guillonneau, Claude; Van, Tri Vo, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 193 - 200

  摘要：

  DOI：

文献信息

• Cgrp Receptor Antagonists
  申请人：Burgey S. Christopher

  公开号：US20070287696A1

  公开（公告）日：2007-12-13

  Compounds of Formula I: and Formula II: (where variables R 1 , R 2 , R 3 , R 4 , A, B, D, G, J, Q, T, W, X and Y are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, pharmaceutical compositions comprising these compounds, use of these compounds and compositions to prevent or treat diseases involving CGRP.

  化合物的化学式I：和化学式II：（其中变量R1、R2、R3、R4、A、B、D、G、J、Q、T、W、X和Y的定义如下）可作为CGRP受体拮抗剂，在涉及CGRP的疾病的治疗或预防中有用，包括这些化合物的药物组合物、使用这些化合物和组合物来预防或治疗涉及CGRP的疾病。
• Lactam derivatives and their use as hypotensive agents
  申请人：Sankyo Company Limited

  公开号：US04734410A1

  公开（公告）日：1988-03-29

  Compounds of formula (I): ##STR1## (wherein R.sup.1 and R.sup.3 are organic groups, A is a direct bond, --CH.sub.2 --, --CH.sub.2 CH.sub.2 --, --CO--CH.sub.2, --O--CH.sub.2 -- or --S--CH.sub.2 --, B is lower alkylene and n is 1-3) are valuable hypotensive agents which may be prepared by a condensation reaction of the corresponding compound having an amino group at the 3-position.

  式(I)的化合物：##STR1##（其中R.sup.1和R.sup.3是有机基团，A是直接键，-CH.sub.2-，-CH.sub.2 CH.sub.2-，-CO-CH.sub.2-，-O-CH.sub.2-或-S-CH.sub.2-，B是低碳烷基，n为1-3）是有价值的降压剂，可以通过相应的具有3-位氨基的化合物的缩合反应制备。
• Lewis Acid-Promoted Conjugate Addition of Dienol Silyl Ethers to Nitroalkenes:  Synthesis of 3-Substituted Azepanes
  作者：Scott E. Denmark、Min Xie

  DOI：10.1021/jo071126i

  日期：2007.8.31

  A novel γ-selective conjugate addition of 1-silyl-substituted dienol ethers to nitroalkenes activated by Lewis acids has been developed. The resulting α,β-unsaturated acylsilanes undergo photoinduced protodesilylation to afford the corresponding enals, which can be conveniently transformed into azepanes under appropriate reductive conditions.

  已经开发了一种新的1-甲硅烷基取代的二烯醇醚向由路易斯酸活化的硝基烯烃的γ-选择性共轭加成。所得的α，β-不饱和酰基硅烷经过光诱导的原甲硅烷基化反应得到相应的烯醛，可以在适当的还原条件下方便地将其转化为a庚烷。
• CGRP receptor antagonists
  申请人：Burgey S. Christopher

  公开号：US20050256098A1

  公开（公告）日：2005-11-17

  The present invention is directed to compounds of Formula I: and Formula II: (where variables R 1 , R 2 , R 3 , R 4 , A, B, G, J, Q, T, U, V, W, X and Y are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及式I和式II的化合物：（其中变量R1、R2、R3、R4、A、B、G、J、Q、T、U、V、W、X和Y如此定义），这些化合物可用作CGRP受体的拮抗剂，并可用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗参与CGRP的这些疾病。
• Cgrp receptor antagonists
  申请人：Burgey S. Christopher

  公开号：US20060194783A1

  公开（公告）日：2006-08-31

  The present invention is directed to compounds of Formula I and Formula II: (where variables R1, R2, R3, R4, R6, A, B, G, J, W, X and Y are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及式I和式II的化合物：（其中变量R1、R2、R3、R4、R6、A、B、G、J、W、X和Y如本文所定义），其作为CGRP受体拮抗剂在治疗或预防涉及CGRP的疾病，例如头痛、偏头痛和群发性头痛中有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及CGRP的这些疾病中使用这些化合物和组合物的用途。