1,3,4,5-tetrahydro-azepin-2-one | 2228-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1,3,4,5-tetrahydro-azepin-2-one
• 英文别名: 1,3,4,5-tetrahydroazepine-2-one；1-7-Oxo-4,5-dihydroazepin；1-H-2,3,4,5-Tetrahydroazepin-2-on；6-Amino-hex-5-ensaeure-lactam；2H-Azepin-2-one, 1,3,4,5-tetrahydro-；1,3,4,5-tetrahydroazepin-2-one
• CAS: 2228-76-4
• 化学式: C₆H₉NO
• 分子量: 111.144
• InChiKey: PEQSKSXLTLCHTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1,3,4,5-tetrahydro-azepin-2-one 在 镍 氢气 作用下， 以 水 为溶剂， 90.0 ℃ 、500.01 kPa 条件下， 生成 己内酰胺
  参考文献：
  名称：

  [EN] PROCESS FOR PURIFYING CAPROLACTAM
  [FR] PROCEDE D'EPURATION DE CAPROLACTAME

  摘要：

  本发明涉及一种用于纯化己内酰胺的过程，该过程包括(a)将己内酰胺经过氢化处理，即在存在含镍的杂化氢化催化剂的情况下，用氢气处理己内酰胺，(b)在一种含有镍量足够低的蒸馏塔中蒸馏至少一部分氢化己内酰胺，使得ΔPANNi ≤ 3，其中ΔPANNi = ΔPAN - ΔPANNi = O，ΔPAN表示在蒸馏过程中己内酰胺的PAN数增加，ΔPANNi = O表示在不含镍的蒸馏塔中，在相同的条件下蒸馏过程中己内酰胺的PAN数没有增加。在蒸馏步骤之前，需要将己内酰胺溶液中的镍去除。

  公开号：

  WO2005014538A1
• 作为产物：
  描述：

  7-hydroxy azepan-2-one 在 对甲苯磺酸 作用下， 生成 1,3,4,5-tetrahydro-azepin-2-one
  参考文献：
  名称：

  Unsaturated Lactams: New Inputs for Povarov-Type Multicomponent Reactions

  摘要：

  Unsaturated lactams with endo- or exocyclic C-C double bonds constitute a set of reactive inputs that serve as the electron-rich olefin component in Povarov reactions. These substrates afford the multicomponent adducts in convenient yields and offer a wide range of structural diversity. Postcondensation transformations allow direct access to a variety of lactam-fused and amide-substituted quinoline derivatives.

  DOI：

  10.1021/ol902913j

文献信息

• The Crocacins: Novel Natural Products as Leads for Agricultural Fungicides
  作者：Patrick J. Crowley、Paul A. Worthington、Joe Swanborough、Olivia-Anabelle Sageot、Gordon R. Munns、Ingrid M. Devillers、Christopher R.A. Godfrey、Kevin Gillen、Ian H. Aspinall、John Williams

  DOI：10.2533/000942903777678669

  日期：——

  A short route to the synthesis of analogues of the antifungal but unstable natural product crocacin D was developed. A wide range of compounds were made in which the complex side chain was replaced by simple aromatic units, and many of them showed high activity in a mitochondrial beef heart respiration assay. Some of these compounds were active against plant pathogenic fungi of agricultural importance in glasshouse tests. In order to find compounds with greater stability than the natural crocacins, the photolabile (Z)-enamide was replaced with many different moieties, but none gave rise to useful fungicidal activity.

  一种合成抗真菌但不稳定的天然产物克罗卡辛D类似物的简短路线被开发出来。制造了广泛的化合物，其中复杂的侧链被简单的芳香单元所取代，并且其中许多化合物在牛肉线粒体呼吸试验中显示出高活性。其中一些化合物在温室测试中对农业上重要的植物病原真菌具有活性。为了找到比天然克罗卡辛更稳定的化合物，光敏性的(Z)-酰胺被许多不同的基团所取代，但没有任何一种能产生有用的杀真菌活性。

• Synthesis of Lactams via Copper-Catalyzed Intramolecular Vinylation of Amides
  作者：Tianshun Hu、Chaozhong Li

  DOI：10.1021/ol0505555

  日期：2005.5.1

  Copper-catalyzed intramolecular vinylation of iodoenamides were investigated for the first time. With CuI as the catalyst and N,N'-dimethylethylenediamine as the ligand, a number of iodoenamides underwent cyclization in dioxane leading to the formations of five- to seven-membered lactams in moderate to excellent yields.

  首次研究了铜催化的碘烯酰胺的分子内乙烯基化。以CuI为催化剂，以N，N'-二甲基乙二胺为配体，许多碘烯酰胺在二恶烷中环化，从而以中等至极好的收率形成了五元至七元内酰胺。
• [EN] AMINOPYRIMIDINES AS SYK INHIBITORS<br/>[FR] AMINOPYRIMIDINES EN TANT QU'INHIBITEURS DE LA SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2011075515A1

  公开（公告）日：2011-06-23

  The present invention provides novel pyrimidine amines of formula (I) which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis.

  本发明提供了式(I)的新型嘧啶胺化合物，它们是脾酪氨酸激酶的强效抑制剂，可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺病和类风湿性关节炎。
• Process for producing epsilon-caprolactam
  申请人：——

  公开号：US20020010329A1

  公开（公告）日：2002-01-24

  A high purity &egr;-caprolactam is prepared by pouring a molten crude &egr;-caprolactam and a solvent comprising an aliphatic hydrocarbon and having a lower temperature than that of the crude &egr;-caprolactam, into a vessel and mixing them to obtain a first slurry containing a crystallized &egr;-caprolactam. The slurry is then subjected to a solid-liquid separation to obtain &egr;-caprolactam and a first liquid phase. This process can effectively remove impurities from a crude &egr;-caprolactam, which is obtained by for example, subjecting cyclohexanone oxime to the Beckmann rearrangement.

  通过将熔化的粗ε-己内酰胺和包含脂肪烃的溶剂（其温度低于粗ε-己内酰胺）倒入容器中并混合它们，制备高纯度的ε-己内酰胺。混合后得到含有结晶ε-己内酰胺的第一浆料。然后对浆料进行固液分离，以获得ε-己内酰胺和第一液相。这个过程可以有效地从通过对环己酮肟进行贝克曼重排得到的粗ε-己内酰胺中去除杂质。
• Cannabinoid receptor modulator
  申请人：Ohkawa Shigenori

  公开号：US20090023800A1

  公开（公告）日：2009-01-22

  A cannabinoid receptor modulator containing a compound represented by Formula (I 0 ) wherein, X is an oxygen atom, etc., R 0 is an optionally substituted acylamino group, ring A 0 is a benzene ring which may further have a substituent in addition to R 0 , and ring B is an optionally substituted 5-membered heterocycle, or a salt thereof or a prodrug thereof.

  一种大麻素受体调节剂，包含由公式（I0）表示的化合物，其中X是氧原子等，R0是可选取代的酰胺基团，环A0是苯环，除R0外还可以进一步具有取代基，环B是可选取代的5成员杂环，或其盐或前药。