(S)-hexahydro-3-methyl-2H-azepin-2-one | 131613-12-2

• 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: (S)-hexahydro-3-methyl-2H-azepin-2-one
• 英文别名: (3S)-3-methylazepan-2-one
• CAS: 131613-12-2
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: FGSUUFDRDVJCLT-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (S)-(-)-6-chlorohexanoic acid (2-methoxymethylpyrrolidin-1-yl)amide 在 氨 、 lithium 、 sodium hydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 (S)-hexahydro-3-methyl-2H-azepin-2-one
  参考文献：
  名称：

  Enantioselective Synthesis of 2-Substituted 5-, 6- and 7-Membered Lactams via α-Alkylation of Their Chiral N-Dialkylamino Derivatives

  摘要：

  通过手性N-（二烷基氨基）内酰胺2的α-烷基化反应，随后在液氨中使用锂进行所得内酰胺3的还原性N-N键断裂，合成了具有良好总收率和高对映体纯度（ee = 71-99%）的2-烷基取代内酰胺4。这些内酰胺2是通过将β-氯代烷基酰肼1与氢化钠环合反应制备的，收率良好。内酰胺4的酸性水解得到γ-氨基丁酸（GABA）衍生物5（ee ≥ 99%）。绝对构型通过旋光仪测定和（S，S）-3e’的X射线结构分析确定。

  DOI：

  10.1055/s-1996-4443

文献信息

• 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Kubota Hideki

  公开号：US20080227785A1

  公开（公告）日：2008-09-18

  This invention relates to an anti-dementia agent which uses a BEC 1 potassium channel inhibitor as the active ingredient. It was proved that the BEC 1 potassium channel inhibitor has an action to improve learning disorder and is useful as a preventive or therapeutic agent for diseases, preferably dementia, in which the BEC 1 potassium channel is considered to be concerned. Illustratively, it was confirmed by an in vivo test that the BEC 1 potassium channel inhibitor has an action to improve learning disorder. Also, it was found that a compound having 2,4,6-triamino-1,3,5-triazine has a BEC 1 potassium channel inhibitory action.

  本发明涉及一种以BEC 1钾离子通道抑制剂作为活性成分的抗痴呆剂。已经证明，BEC 1钾离子通道抑制剂具有改善学习障碍的作用，并且作为预防或治疗剂是有用的，尤其是对于BEC 1钾离子通道与之相关的疾病，如痴呆症。例如，通过体内试验证实，BEC 1钾离子通道抑制剂具有改善学习障碍的作用。此外，还发现具有2,4,6-三氨基-1,3,5-三嗪的化合物具有BEC 1钾离子通道抑制作用。
• Bicyclic Substituted Pyrimidine Compounds
  申请人：Xuanzhu Pharma Co., Ltd.

  公开号：US20150232474A1

  公开（公告）日：2015-08-20

  Disclosed are bicyclic group substituted pyrimidine compounds, pharmaceutical acceptable salts thereof or stereoisomers thereof. Also disclosed are preparation methods, pharmaceutical formulations, and pharmaceutical compositions of the compounds, and use of the compounds, pharmaceutical formulations, and pharmaceutical compositions for preparing a medicament for treating and/or preventing sexual dysfunction diseases and diseases with lower urinary tract symptoms.

  本发明涉及含有双环基团取代的嘧啶化合物，其药用可接受的盐或立体异构体。本发明还涉及该化合物的制备方法、制药配方和制药组合物，以及使用该化合物、制药配方和制药组合物制备用于治疗和/或预防性功能障碍疾病和下尿路症状的药物。
• Use of neurokinin antagonists in the treatment of urinary incontinence
  申请人：Novartis AG

  公开号：EP2158910A1

  公开（公告）日：2010-03-03

  This invention relates to compounds of formula (I), wherein the R1, R2, R3, R4, R5 R6 and R7 are as defined in the specification, and, in particular, their use as pharmaceuticals, e.g. use in urinary incontinence.

  本发明涉及式 (I) 化合物，其中 R1、R2、R3、R4、R5、R6 和 R7 如说明书中所定义，尤其涉及其作为药物的用途，例如用于治疗尿失禁。
• Syntheses and rearrangements of spirocyclic oxaziridines derived from unsymmetrical ketones
  作者：Jeffrey Aube、Marlys Hammond、Elyse Gherardini、Fusao Takusagawa

  DOI：10.1021/jo00002a006

  日期：1991.1

  Oxaziridines provide useful alternatives to the Beckmann rearrangement and Schmidt reaction for ring enlargement of cyclic ketones. The procedure involves the condensation of the ketone in question with optically active alpha-methylbenzylamine, oxidation of the resultant imine, and photolysis to afford ring-expanded lactams. The alpha-phenylethyl substituent can be removed after photolysis to yield the N-unsubstituted lactam. When a distal ketone substituent is present, the oxaziridines can be synthesized stereoselectively. Thus, optically active ketones can be converted to either ring-expanded lactam by choice of either enantiomer of optically active alpha-methylbenzylamine. Ketones bearing adjacent substitution are generally not amenable to such regiocontrol because the resident substituent is the key stereocontrol element for the oxaziridine synthesis, although a notable exception is 2-methoxycyclohexanone. Stereogenic centers present in such compounds undergo epimerization during the couse of the reaction sequence; in addition, substrates containing substantial amounts of enamine give rise to novel doubly oxygenated products upon oxidation. Finally, the conformational behavior of the side chains in both oxaziridines and their product lactams permits some key stereochemical assignments to be made, on the basis of chemical shift trends in the NMR spectra of these materials.
• AUBE, JEFFREY;HAMMOND, MARLYS;GHERARDINI, ELYSE;TAKUSAGAWA, FUSAO, J. ORG. CHEM., 56,(1991) N, C. 499-508
  作者：AUBE, JEFFREY、HAMMOND, MARLYS、GHERARDINI, ELYSE、TAKUSAGAWA, FUSAO

  DOI：——

  日期：——