2-methyl-4-oxohexanal | 79015-60-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-4-oxohexanal
• 英文别名: InChI=1/C7H12O2/c1-3-7(9)4-6(2)5-8/h5-6H,3-4H2,1-2H
• CAS: 79015-60-4
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: PLSABGDIPYYWKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-4-oxohexanal 、 sodium hydroxide 以85%的产率得到
  参考文献：
  名称：

  AHLBRECHT H.; VON DAACKE A., SYNTHESIS,(1987) N 1, 24-28

  摘要：

  DOI：
• 作为产物：
  描述：

  5-methyl-5,6-epoxy-3-hexanone 在 2-甲基苯磺酸 作用下， 生成 2-methyl-4-oxohexanal
  参考文献：
  名称：

  Cormier, Russell A.; Francis, Mary D., Synthetic Communications, 1981, vol. 11, # 5, p. 365 - 370

  摘要：

  DOI：

文献信息

• 1,4-Ketoaldehyde durch Michael-Addition deprotonierter Aldimine an 2-(<i>N</i>-Methylanilino)-acrylonitril
  作者：Hubertus Ahlbrecht、Axel Von Daacke

  DOI：10.1055/s-1987-27829

  日期：——

  1,4-Ketoaldehydes via Michael-Addition of deprotonated Aldimines to 2-(N-Methylanilino)-acrylonitrile A new method for the synthesis of the title compounds by a one-pot three component coupling reaction is described. It consists of the reaction of an enolateanion- and an enolcation-equivalent with subsequent alkylation of an acylanion-equivalent.

  通过去质子化醛胺与2-(N-甲基苯胺)-丙烯腈的迈克尔加成制备1,4-酮醛 新的方法描述了通过一步法三组分偶联反应合成该标题化合物。该方法包括酮酸根离子和烯醇阳离子等价物的反应，随后对酰基阴离子等价物进行烷基化。
• Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same
  申请人：ORTHO PHARMACEUTICAL CORPORATION

  公开号：EP0248594A2

  公开（公告）日：1987-12-09

  1,5-Diaryl-3-substituted pyrazoles, a method of their preparation, compositions containing the same and methods of their use are disclosed. The pyrazoles are useful in alleviating inflammatory and cardiovascular disorders in mammals.

  本发明公开了 1,5-二芳基-3-取代吡唑、其制备方法、含有吡唑的组合物及其使用方法。这些吡唑可用于缓解哺乳动物的炎症和心血管疾病。
• Crosslinkers for improving stability of polyurethane foams
  申请人：Air Products and Chemicals, Inc.

  公开号：EP1914254A1

  公开（公告）日：2008-04-23

  A composition for making a polyurethane foam includes a non-fugitive tertiary amine urethane catalyst and an alkylated polyamine crosslinking additives. Foams prepared from the reaction of a polyol and an organic isocyanate in the presence of these ingredients show improved resistance to deterioration of physical properties upon humid ageing.

  一种用于制造聚氨酯泡沫塑料的组合物包括一种无挥发性叔胺聚氨酯催化剂和一种烷基化多胺交联添加剂。由多元醇和有机异氰酸酯在这些成分的存在下反应制备而成的泡沫，在潮湿老化过程中显示出更强的抗物理性能劣化能力。
• Peptidomimetic protease inhibitors
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1958956A2

  公开（公告）日：2008-08-20

  The present invention relates to peptidomimetic compounds useful as protease inhibitors (1), particularly as serine protease inhibitors and more particularly as hepatitis C NS3 protease inhibitors; intermediates thereto; their preparation including novel steroselective processes to intermediates. The invention is also directed to pharmaceutical compositions and to methods for using the compounds for inhibiting HCV protease or treating a patient suffering from an HCV infection or physiological condition related to the infection. Also provided are pharmaceutical combinations comprising, in addition to one or more HCV serine protease inhibitors, one or more interferons exhibiting anti-HCV activity and/or one or more compounds having anti HCV activity and a pharmaceutically acceptable carrier, and methods for treating or preventing a HCV infection in a patient using the compositions. The present invention is also directed to a kit or pharmaceurical pack for treating or preventing HCV infection in a patient.

  本发明涉及可用作蛋白酶抑制剂（1），特别是丝氨酸蛋白酶抑制剂，更特别是丙型肝炎 NS3 蛋白酶抑制剂的拟肽化合物；其中间体；其制备方法，包括制备中间体的新型立体选择性工艺。本发明还涉及药物组合物以及使用这些化合物抑制 HCV 蛋白酶或治疗 HCV 感染患者或与感染相关的生理状况的方法。本发明还提供了药物组合物，除一种或多种HCV丝氨酸蛋白酶抑制剂外，还包括一种或多种具有抗HCV活性的干扰素和/或一种或多种具有抗HCV活性的化合物和药学上可接受的载体，以及使用该组合物治疗或预防患者HCV感染的方法。本发明还涉及一种用于治疗或预防患者HCV感染的试剂盒或药包。
• CORMIER R. A.; FRANCIS M. D., SYNTH. COMMUN., 1981, 11, NO 5, 365-369
  作者：CORMIER R. A.、 FRANCIS M. D.

  DOI：——

  日期：——

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