bis-(3,7-dimethylocta-2,6-dienyl) ether | 63438-49-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: bis-(3,7-dimethylocta-2,6-dienyl) ether
• 英文别名: bis-(3,7-dimethyl-2,6-octadienyl)ether；2,6-Octadiene, 1,1'-oxybis[3,7-dimethyl-, (2E,2'Z)-；1-(3,7-dimethylocta-2,6-dienoxy)-3,7-dimethylocta-2,6-diene
• CAS: 63438-49-3
• 化学式: C₂₀H₃₄O
• 分子量: 290.489
• InChiKey: XWRJRXQNOHXIOX-UHFFFAOYSA-N

物化性质

• 沸点：
  132 °C(Press: 0.1 Torr)
• 密度：
  0.857±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  原乙酸三甲酯 、 香叶醇 在 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate 作用下， 以 neat liquid 为溶剂， 反应 10.0h， 生成 3-甲氧基-3,7-二甲基辛-1,6-二烯 、 1-甲氧基-3,7-二甲基辛-2,6-二烯 、 bis-(3,7-dimethylocta-2,6-dienyl) ether 、 (3,7-dimethylocta-2,6-dienyloxy)-3,7-dimethylocta-1,6-diene
  参考文献：
  名称：

  酸性离子液体存在下原酸酯的烯丙基萜烯醇的Johnson-Claisen重排

  摘要：

  在六氟磷酸1-丁基-3-甲基咪唑鎓[bmim] [PF 6 ]（10 mol％）存在下，通过烯丙基萜烯醇与原乙酸三乙酯（丙酸酯）反应合成天然类异戊二烯衍生的羧酸酯的简便方法，已经被开发出来。所需的萜烯衍生物以中等至高产率制备。离子液体（IL）可以很容易地从产物中分离出来，并重复使用多达十次，而不会降低产物的收率。实验数据证明，由IL原位产生的HF最有可能在Johnson-Claisen重排中充当真正的催化剂。

  DOI：

  10.1016/j.jfluchem.2016.01.005

文献信息

• Alkylation of phenol by nerol in the presence of organoaluminum compounds
  作者：I. Yu. Chukicheva、I. V. Fedorova、A. A. Koroleva、A. V. Kuchin

  DOI：10.1007/s10600-012-0303-4

  日期：2012.9

  Alkylation of aluminum phenolate by nerol and of phenol by nerol in the presence of the organoaluminum compounds aluminum phenolate and aluminum isopropylate was studied. The reaction products were isolated and characterized. Several features of the process were determined. It was found that ortho-substitution of the aromatic ring occurred primarily. In several instances nerol was cyclized. The fraction

  研究了在有机铝化合物苯酚铝和异丙醇铝存在下，橙花醇对苯酚铝的烷基化和橙花醇对苯酚的烷基化。分离并表征反应产物。确定了该过程的几个特征。发现芳环的邻位取代主要发生。在一些情况下，橙花醇被环化。烯丙基重排的分数是微不足道的。
• New sulfonyl compound and use of said compound in the process of producing vitamin A or its esters
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0456287A1

  公开（公告）日：1991-11-13

  The invention relates to a new sulfonyl compound having the general formula wherein R₁is an unsubstituted or substituted aryl group; and R₂is a C₁-C₂₀ alkyl group, a C₂-C₂₀ alkenyl group or a C₂-C₂₀ alkynyl group, which groups may be substituted with one or more substituents selected from the group consisting of C₁-C₄ alkoxy, halogen, unsubstituted aryl and substituted aryl; or wherein R₂ is a tri(hydrocarbyl)silyl group, an optionally lower-alkyl- substituted dihydro- or tetrahydropyran-2-yl group, an optionally lower- alkyl-substitute dihydro- or tetrahydro-fur-2-yl group, or a lower alkoxyalkylgroup. This sulfonyl compound can be used as an intermediate in the process of producing vitamin A or its esters.

  本发明涉及一种新的磺酰基化合物，其具有下列通式： 其中，R₁是未取代或取代的芳基基团；R₂是C₁-C₂₀烷基基团、C₂-C₂₀烯基基团或C₂-C₂₀炔基基团，这些基团可以被一个或多个来自C₁-C₄烷氧基、卤素、未取代的芳基和取代的芳基的取代基所取代；或者R₂是三(烃基)硅基团、一个可选的低烷基取代的二氢或四氢吡喃-2-基团、一个可选的低烷基取代的二氢或四氢呋喃-2-基团或一个低烷氧基烷基基团。 该磺酰基化合物可用作生产维生素A或其酯的过程中间体。
• Luminescence-based methods and probes for measuring cytochrome P450 activity
  申请人：Promega Corporation

  公开号：US20040171099A1

  公开（公告）日：2004-09-02

  The present invention provides methods, compositions, substrates, and kits useful for analyzing the metabolic activity in cells, tissue, and animals and for screening test compounds for their effect on cytochrome P450 activity. In particular, a one-step and two-step methods using luminogenic molecules, e.g. luciferin or coelenterazines, that are cytochrome P450 substrates and that are also bioluminescent enzyme, e.g., luciferase, pro-substrates are provided. Upon addition of the luciferin derivative or other luminogenic molecule into a P450 reaction, the P450 enzyme metabolizes the molecule into a bioluminescent enzyme substrate, e.g., luciferin and/or luciferin derivative metabolite, in a P450 reaction. The resulting metabolite(s) serves as a substrate of the bioluminescent enzyme, e.g., luciferase, in a second light-generating reaction. Luminescent cytochrome P450 assays with low background signals and high sensitivity are disclosed and isoform selectivity is demonstrated. The present invention also provides an improved method for performing luciferase reactions which employs added pyrophosphatase to remove inorganic pyrophosphate, a luciferase inhibitor which may be present in the reaction mixture as a contaminant or may be generated during the reaction. The present method further provides a method for stabilizing and prolonging the luminescent signal in a luciferase-based assay using luciferase stabilizing agents such as reversible luciferase inhibitors.

  本发明提供了用于分析细胞、组织和动物代谢活性以及筛选化合物对细胞色素P450活性影响的方法、组成物、底物和试剂盒。特别地，提供了使用发光分子（如荧光素或发光虫菊素）的一步和两步方法，这些分子是细胞色素P450底物，也是生物发光酶（如荧光素酶）的前体底物。将荧光素衍生物或其他发光分子加入到P450反应中后，P450酶将这些分子代谢成生物发光酶底物（如荧光素和/或荧光素衍生物代谢物）的底物。产生的代谢物作为生物发光酶（如荧光素酶）的底物，在第二个发光反应中发光。揭示了低背景信号和高灵敏度的发光细胞色素P450测定方法，并证明了亚型选择性。本发明还提供了一种改进的荧光素酶反应方法，该方法采用添加焦磷酸酶以去除无机焦磷酸盐，该酶是可能存在于反应混合物中的污染物或在反应过程中生成的荧光素酶抑制剂。本方法进一步提供了一种使用可逆荧光素酶抑制剂等荧光素酶稳定剂稳定和延长荧光素酶基础测定中的发光信号的方法。
• LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS
  申请人：Promega Corporation

  公开号：US20140154716A1

  公开（公告）日：2014-06-05

  A method to detect the presence or amount of at least one molecule in a sample which employs a derivative of luciferin or a derivative of a fluorophore is provided. Compounds and compositions for carrying out the methods of the invention are also provided.

  本发明提供了一种检测样本中至少一种分子存在或数量的方法，该方法采用了luciferin的衍生物或荧光团的衍生物。还提供了用于执行本发明方法的化合物和组合物。
• LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY
  申请人：PROMEGA CORPORATION

  公开号：US20140380514A1

  公开（公告）日：2014-12-25

  The invention provides compounds, compositions, methods, substrates, and kits useful for analyzing the metabolic activity in cells, tissue, and animals and for screening test compounds for their effect on cytochrome P450 activity. In particular, a one-step and two-step methods using luminogenic molecules, e.g. luciferins or coelenterazines, that are cytochrome P450 substrates and that are also bioluminescent enzyme, e.g., luciferase, pro-substrates are provided. The present method further provides a method for stabilizing and prolonging the luminescent signal in a luciferase-based assay using luciferase stabilizing agents such as reversible luciferase inhibitors.

  本发明提供了化合物、组合物、方法、基质和工具，用于分析细胞、组织和动物中的代谢活性，并用于筛选测试化合物对细胞色素P450活性的影响。具体而言，提供了一步和两步方法，使用发光分子，例如荧光素或荧光素，它们是细胞色素P450底物，也是生物发光酶，例如荧光素酶，以及前体底物。本方法还提供了一种方法，使用可逆荧光素酶抑制剂等荧光素酶稳定剂稳定和延长荧光素酶基于荧光素的测定中的发光信号。