依沙双酮 | 520-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 依沙双酮
• 中文别名: 3-乙基-5,5-二甲基噁唑烷-2,4-二酮
• 英文名称: Ethadione
• 英文别名: 3-ethyl-5,5-dimethyl-oxazolidine-2,4-dione；3-Aethyl-5,5-dimethyl-oxazolidin-2,4-dion；3-Ethyl-5,5-dimethyl-2,4-oxazoldion；3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• CAS: 520-77-4
• 化学式: C₇H₁₁NO₃
• mdl: MFCD00154758
• 分子量: 157.169
• InChiKey: SIGSNYAYBSJATD-UHFFFAOYSA-N

物化性质

• 熔点：
  76-77°
• 沸点：
  178.7±23.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  依沙双酮 在 sodium hydroxide 作用下， 生成 α-hydroxy-isobutyric acid ethylamide 、 α-ethylcarbamoyloxy-isobutyric acid
  参考文献：
  名称：

  Davies et al., Journal of the Chemical Society, 1950, p. 34

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5-二甲基-2-硫代-1,3-恶唑烷-4-酮 在 四氯化碳 、 乙醇 、 水 、 sodium ethanolate 、 氯 作用下， 生成 依沙双酮
  参考文献：
  名称：

  Davies et al., Journal of the Chemical Society, 1950, p. 34

  摘要：

  DOI：
• 作为试剂：
  描述：

  prop-2-enyl 2-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazole-3-carboxylate 在 四(三苯基膦)钯 、 依沙双酮 作用下， 以 四氢呋喃 为溶剂， 以18%的产率得到2-甲基-2-苯基-4-(三氟甲基)-1,5-二氢咪唑
  参考文献：
  名称：

  Trifluoromethyl-substituted Δ3-imidazolines: Synthesis and reactivity

  摘要：

  We describe the preparation of various 4-trifluoromethyl-substituted Delta(3)-imidazolines, which are precursors to amino acid-derived trifluoromethyl ketones. The imidazolines are prepared from alpha-silylimines and trifluoroacetonitrile by a 3+2 cycloaddition, and they can be hydrolyzed in weak acid to trifluoromethyl ketones. Additionally, we have identified several ring-opened compounds which result from treatment of the imidazolines with acid or base. Attempts to alkylate the imidazolines led to ring-opened products, so that the alkylation sequence ultimately produced N-alkylated amino acid-derived trifluoromethyl ketones. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00934-9

文献信息

• 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS
  申请人：Stangeland Eric L.

  公开号：US20110230495A1

  公开（公告）日：2011-09-22

  The invention relates to compounds of formula I: where X, HAr, a, and R 1 through R 6 are as defined in the specification, or a pharmaceutically acceptable salt thereof. The compounds of formula I are serotonin and norepinephrine reuptake inhibitors. The invention also relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  本发明涉及如下公式I的化合物： 其中X，HAr，a，以及R1至R6如说明书所述，或其药用可接受的盐。公式I的化合物是5-羟色胺和去甲肾上腺素再摄取抑制剂。本发明还涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的方法和中间体。
• [EN] BUPRENORPHINE ANALOGS<br/>[FR] ANALOGUES DE BUPRÉNORPHINE
  申请人：PURDUE PHARMA LP

  公开号：WO2012038813A1

  公开（公告）日：2012-03-29

  The present invention is directed to Buprenorphine Analog compounds of the Formula (I), Formula (IA) or Formula (IB) shown below, wherein R1, R2, R8, R 3a, R 3b, G, X, Z and Y are as defined herein. Compounds of the Invention are useful for treating pain, constipation, and other conditions modulated by activity of opioid and ORL-1 receptors.

  本发明涉及如下所示的公式(I)、公式(IA)或公式(IB)的丁丙诺啡类似物化合物，其中R1、R2、R8、R 3a、R 3b、G、X、Z和Y的定义如本文所述。本发明的化合物可用于治疗疼痛、便秘以及通过阿片类和ORL-1受体的活性调节的其他状况。
• PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20150141434A1

  公开（公告）日：2015-05-21

  The invention provides compounds that are useful as sodium channel blockers. In one aspect, the invention provides compounds of Formula I: or pharmaceutically acceptable salts, solvates, hydrates, or diastereomers thereof, wherein R 1 , R 4 , X, G, n, p, W 1 , W 2 , W 3 , W 4 , and the E ring are defined in the disclosure. In certain embodiments, the invention provides compounds of Formulae II-XIII as set forth supra. The invention also provides the use of compounds of any of the above discussed formulae to treat a disorder responsive to blockade of sodium channels. In one embodiment, Compounds of the Invention are useful for treating pain.

  本发明提供了一种用作钠通道阻断剂的化合物。在一方面，本发明提供了公式I的化合物： 或其药用可接受的盐、溶剂化物、水合物或对映异构体，其中R1、R4、X、G、n、p、W1、W2、W3、W4和E环在公开中定义。在某些实施例中，本发明提供了上述公式II-XIII的化合物。本发明还提供了使用上述任何讨论公式的化合物来治疗对钠通道阻断有反应的疾病。在一个实施例中，发明化合物用于治疗疼痛。
• 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS
  申请人：Tansna Therapeutics Inc.

  公开号：US20150148430A1

  公开（公告）日：2015-05-28

  The present disclosure provides phenolic compounds useful in the treatment of neurological conditions such as convulsions and tremors, having the structure of Formula (I): wherein R 2 , R 4 , & R 5 , are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating neurological conditions.

  本公开提供用于治疗诸如惊厥和震颤等神经学状况的酚类化合物，其具有公式（I）的结构： 其中R2、R4和R5如详细描述中定义；包含至少一种该化合物的药物组合物；以及用于治疗神经学状况的方法。
• Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof
  申请人：Mikamiyama Hidenori

  公开号：US20110136833A1

  公开（公告）日：2011-06-09

  The invention relates to tetrahydropyridinyl and dihydropyrrolyl compounds of Formula (I): and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X, Y, Z, R 1 , R 2 , m, and n are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  这项发明涉及式(I)的四氢吡啶基和二氢吡咯基化合物，以及其药学上可接受的盐、前药或溶剂化合物，其中X、Y、Z、R1、R2、m和n的定义如规范中所述。该发明还涉及利用式(I)的化合物治疗对钙通道阻滞有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。