4-二甲基氨基-2-丁酮盐酸盐 | 54493-24-2

• 物质功能分类: 有机原料 - 氨基化合物 - 无环单胺、多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-二甲基氨基-2-丁酮盐酸盐
• 中文别名: 4-(二甲氨基)丁烷-2-酮盐酸
• 英文名称: 4-dimethyl-amino-2-butanone hydrochloride
• 英文别名: 3-oxo-N,N-dimethylbutanamine hydrochloride；4-(dimethylamino)-2-butanone hydrochloride；4-(dimethylamino)butan-2-one hydrochloride；4-Dimethylaminobutan-2-on*HCl；4-dimethylamino-butan-2-one; hydrochloride；4-Dimethylamino-butan-2-on; Hydrochlorid；Dimethyl(3-oxobutyl)azanium;chloride
• CAS: 54493-24-2
• 化学式: C₆H₁₃NO*ClH
• mdl: MFCD00481843
• 分子量: 151.636
• InChiKey: UTCFREZFQSHYLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  20.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-二甲基氨基-2-丁酮盐酸盐 在 盐酸羟胺 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 3.0h， 以72%的产率得到4-dimethylamino-butan-2-one oxime
  参考文献：
  名称：

  Evaluation of some Mannich bases of cycloalkanones and related compounds for cytotoxic activity

  摘要：

  A number of Mannich bases of cycloalkanones and related quaternary ammonium compounds were prepared for cytotoxic evaluation in order to examine the theory that sequential release of alkylating agents produces increased bioactivity compared to related compounds containing only 1 potential alkylating site. Many of the compounds had significant activity against murine L1210 cells and various human tumours. Some correlations between structure and activity were noted but the biological data did not support the view that potential sequential liberation of cytotoxic species produced compounds with increased potency. The formation of various oximes and oxime benzoates as candidate prodrugs was achieved but in general these compounds were not cytotoxic at the concentrations utilized. This observation may be due to the fact that the oximes were much more stable in deuterated phosphate buffered saline over a period of 48 h at 37-degrees-C than the Mannich bases, as revealed by H-1-NMR spectroscopy.

  DOI：

  10.1016/0223-5234(93)90148-8
• 作为产物：
  描述：

  N,N-二甲基氯烯亚胺 、 丙酮 生成 4-二甲基氨基-2-丁酮盐酸盐
  参考文献：
  名称：

  [EN] TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS
  [FR] COMPOSÉS TRICYCLIQUES COMME MODULATEURS DES RÉCEPTEURS DE GLUTAMATES

  摘要：

  本文披露的是可能是代谢型受体亚型5的负性别构调节剂的化合物，以及制备和使用这些化合物的方法。

  公开号：

  WO2010049366A1

文献信息

• BICYCLIC AZA HETEROCYCLES, AND USE THEREOF
  申请人：Follmann Markus

  公开号：US20140148433A1

  公开（公告）日：2014-05-29

  The present application relates to novel bicyclic azaheterocycles, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型的双环氮杂杂环化合物，其制备方法，以及单独或组合使用它们来治疗和/或预防疾病，以及使用它们来生产用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病的药物。
• Substituted pyrido [2,1-a] isoquinoline derivatives
  申请人：Boehringer Markus

  公开号：US20060116393A1

  公开（公告）日：2006-06-01

  The present invention relates to compounds of formula (I) wherein R 1 to R 4 are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with DPP-IV, such as diabetes, particularly non-insulin dependent diabetes mellitus, and impaired glucose tolerance.

  本发明涉及式(I)的化合物，其中R1至R4如描述和索赔中定义，并且其药学上可接受的盐。这些化合物对与DPP-IV相关的疾病的治疗和/或预防有用，例如糖尿病，特别是非胰岛素依赖型糖尿病和糖耐量受损。
• Verbesserte Synthese von methyl- und phenylsubstituierten Pyrido[2,3-d]pyrimidin-2,4-diaminen
  作者：Reinhard Troschütz、Thomas Dennstedt

  DOI：10.1002/ardp.19943270406

  日期：——

  Die Titelverbindungen 4b‐g, 10a,b und 13 lassen sich durch “Cyclokondensation” der 1,3‐Biselektrophile la‐e, 5b,f,g, 7b,d, 8a,b und 12 mit 2,4,6‐Triaminopyrimidin (2) in verbesserten Ausb. darstellen.

  标题化合物 4b-g、10a、b 和 13 可以通过 1,3-双亲电试剂 la-e、5b、f、g、7b、d、8a、b 和 12 与 2,4、 6-三氨基嘧啶 (2) 的产率提高。代表。
• Reaction of Lawesson's reagent with Mannich base hydrochlorides: synthesis of novel 4H-1,3,2-oxathiaphosphorine-2-sulfide derivatives
  作者：Iyadh Aouani、Soufiane Touil

  DOI：10.1080/17415993.2013.824970

  日期：2014.3.4

  In a simple and general protocol, the treatment of Mannich base hydrochlorides, derived from acyclic and cyclic ketones, with Lawesson's reagent, leads to novel 4H-1,3,2-oxathiaphosphorine derivatives in good yields. A possible reaction mechanism, involving a [4+2] cycloaddition, is proposed. GRAPHICAL ABSTRACT

  在一个简单而通用的方案中，用 Lawesson 试剂处理衍生自无环和环状酮的曼尼希碱盐酸盐，以良好的收率获得新型 4H-1,3,2-氧硫磷衍生物。提出了一种可能的反应机理，包括 [4+2] 环加成。图形概要
• Synthesis of pyrimidinethiones and spiropyrans proceeding from Mannich ketones
  作者：M. P. Shchekina、R. S. Tumskii、I. N. Klochkova、A. A. Anis’kov

  DOI：10.1134/s107042801702021x

  日期：2017.2

  β-aminoketones were revealed consisting in heterocyclization reactions with the formation of spirochromenes and hydropyrimidinethiones. Alicyclic conjugated Mannich bases under conditions of basic catalysis suffer deamination followed by [4+2]-cycloaddition leading to the stereo- and regiodirected formation of difficultly available spirochromene derivatives. Three-component condensation of acyclic and alicyclic

  揭示了新的合成的共轭和饱和β-氨基酮的机会，包括杂环反应和螺环色酮和氢嘧啶硫酮的形成。在碱性催化条件下，脂环族共轭曼尼希碱会发生脱氨基反应，然后进行[4 + 2]-环加成反应，导致立体和区域定向形成难于获得的螺环色素衍生物。在非质子酸催化下，无环和脂环曼尼希酮与硫脲和芳族醛的三组分缩合反应可得到嘧啶-2-硫酮系列的官能化衍生物。发现了β-氨基羰基底物的О，N-杂环化的最佳条件。