3-(4-己基苯甲酰基)-丙酸 | 64779-08-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(4-己基苯甲酰基)-丙酸
• 英文名称: 4-(4-hexyl-phenyl)-4-oxo-butyric acid
• 英文别名: 4-(4-Hexyl-phenyl)-4-oxo-buttersaeure；4-(4-Hexylphenyl)-4-oxobutanoic acid
• CAS: 64779-08-4
• 化学式: C₁₆H₂₂O₃
• 分子量: 262.349
• InChiKey: WWHKOZXEVDESBN-UHFFFAOYSA-N

物化性质

• 沸点：
  440.7±38.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  3-(4-己基苯甲酰基)-丙酸 在 alkaline solution 、 锌 作用下， 生成 4-(4-hexyl-phenyl)-butyric acid
  参考文献：
  名称：

  US2130989

  摘要：

  公开号：
• 作为产物：
  描述：

  丁二酸酐 、 己基苯 在 三氯化铝 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 3-(4-己基苯甲酰基)-丙酸
  参考文献：
  名称：

  Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f]-[1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

  摘要：

  A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (+/-)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.

  DOI：

  10.1016/0223-5234(96)85877-6

文献信息

• Rhodium(II)-Catalyzed Enantioselective Synthesis of Troponoids
  作者：Sandip Murarka、Zhi-Jun Jia、Christian Merten、Constantin-G. Daniliuc、Andrey P. Antonchick、Herbert Waldmann

  DOI：10.1002/anie.201502233

  日期：2015.6.22

  We report a rhodium(II)‐catalyzed highly enantioselective 1,3‐dipolar cycloaddition reaction between the carbonyl moiety of tropone and carbonyl ylides to afford troponoids in good to high yields with excellent enantioselectivity. We demonstrate that α‐diazoketone‐derived carbonyl ylides, in contrast to carbonyl ylides derived from diazodiketoesters, undergo [6+3] cycloaddition reactions with tropone

  我们报告了铑（II）催化的高效率对苯二酚的羰基部分和羰基内酯之间的高对映选择性1,3-偶极环加成反应，以良好的对映选择性提供了高至高收率的类生物碱。我们证明，与重氮二酮酸酯衍生的羰基酰基化物相比，α-二氮杂酮衍生的羰基酰基化物与tropone经历[6 + 3]环加成反应，以产生具有出色立体选择性的相应桥联杂环。
• Methods and compositions for determining the sequence of nucleic acid molecules
  申请人：QIAGEN Genomics, Inc.

  公开号：US20040115694A1

  公开（公告）日：2004-06-17

  Methods and compounds, including compositions therefrom, are provided for determining the sequence of nucleic acid molecules. The methods permit the determination of multiple nucleic acid sequences simultaneously. The compounds are used as tags to generate tagged nucleic acid fragments which are complementary to a selected target nucleic acid molecule. Each tag is correlative with a particular nucleotide and, in a preferred embodiment, is detectable by mass spectrometry. Following separation of the tagged fragments by sequential length, the tags are cleaved from the tagged fragments. In a preferred embodiment, the tags are detected by mass spectrometry and the sequence of the nucleic acid molecule is determined therefrom. The individual steps of the methods can be used in automated format, e.g., by the incorporation into systems.

  提供了用于确定核酸分子序列的方法和化合物，包括从中制备的组合物。该方法允许同时确定多个核酸序列。这些化合物被用作标记，以生成与所选目标核酸分子互补的带标记的核酸片段。每个标记与特定的核苷酸相关，在优选实施例中，可以通过质谱法检测到。在通过顺序长度分离带标记的片段后，将从带标记的片段中切除标记。在优选实施例中，通过质谱法检测标记，并从中确定核酸分子的序列。该方法的各个步骤可以以自动化格式使用，例如通过纳入系统中。
• METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACID MOLECULES UTILIZING SIZING TECHNIQUES
  申请人：Van Ness Jeffrey

  公开号：US20060057566A1

  公开（公告）日：2006-03-16

  Tags and linkers specifically designed for a wide variety of nucleic acid reactions are disclosed, which are suitable for a wide variety of nucleic acid reactions wherein separation of nucleic acid molecules based upon size is required.

  本发明揭示了专门设计用于各种核酸反应的标签和连接剂，适用于需要基于大小分离核酸分子的各种核酸反应。
• Beta secretase inhibitor
  申请人：Mimoto Tsutomu

  公开号：US20090198056A1

  公开（公告）日：2009-08-06

  The present invention relates to a compound of the formula (1): wherein R 1 is group of the formula (2): (wherein X is nitrogen atom or C(R 5 ), Y is nitrogen atom or C(R 6 ), R 5 and R 6 are each independently hydrogen atom, etc.) etc., m is 1 to 6, L 1 is single bond, etc., R 2 is hydrogen atom, substituted or unsubstituted alkyl group, etc., R 3 is hydrogen atom, etc., L 2 is single bond, etc., R 4 is hydrogen atom, substituted or unsubstituted aryl group, etc., or pharmaceutically acceptable salt thereof, being useful for preventing or treating Alzheimer's disease.

  本发明涉及一种化合物，其化学式为（1）：其中R1是化合物（2）的基团：（其中X是氮原子或C（R5），Y是氮原子或C（R6），R5和R6分别独立地是氢原子等），m为1到6，L1为单键等，R2为氢原子，取代或未取代的烷基等，R3为氢原子等，L2为单键等，R4为氢原子，取代或未取代的芳基等，或其药学上可接受的盐，可用于预防或治疗阿尔茨海默病。
• Methods and compositions for detecting binding of ligand pair using non-fluorescent label
  申请人：Rapigene, Inc.

  公开号：EP0962464A2

  公开（公告）日：1999-12-08

  Methods are provided for detecting the binding of a first member to a second member of a ligand pair, comprising the steps of (a) combining a set of first tagged members with a biological sample which may contain one or more second members, under conditions, and for a time sufficient to permit binding of a first member to a second member, wherein said tag is correlative with a particular first member and detectable by non-fluorescent spectrometry, or potentiometry; (b) separating bound first and second members from unbound members; (c) cleaving the tag from the tagged first member; and (d) detecting the tag by non-fluorescent spectrometry, or potentiometry, and therefrom detecting the binding of the first member to the second member.

  本发明提供了检测配体对中第一成员与第二成员结合的方法，包括以下步骤：(a) 在足以允许第一成员与第二成员结合的条件和时间下，将一组第一标记成员与可能含有一个或多个第二成员的生物样品结合，其中所述标记与特定的第一成员相关，并可通过非荧光光谱法或电位计法检测；(b) 将结合的第一和第二成员与未结合的成员分离； (c) 从标记的第一成员上裂解标记；以及 (d) 通过非荧光光谱法或电位测定法检测标记，并由此检测第一成员与第二成员的结合情况。