4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester | 121749-58-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester
• 英文别名: ethyl 3-(4-methoxyphenyl)-2-(1-oxo-2,2,2-trifluoroethyl)propionate；Ethyl 2-(4-methoxybenzyl)-3-oxo-4,4,4-trifluorobutanoate；ethyl 4,4,4-trifluoro-2-[(4-methoxyphenyl)methyl]-3-oxobutanoate
• CAS: 121749-58-4
• 化学式: C₁₄H₁₅F₃O₄
• 分子量: 304.266
• InChiKey: HZIBTILDHDBAFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester 在 hydrazine hydrate 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以68%的产率得到4-(4-methoxy-benzyl)-5-trifluoromethyl-1H-pyrazol-3-ol
  参考文献：
  名称：

  [EN] INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES
  [FR] INTERMÉDIAIRES ET PROCÉDÉS POUR LA PRÉPARATION DE DÉRIVÉS DE FLUOROGLYCOSIDE

  摘要：

  本发明提供了一种生产(2S,3R,4R,5S,6R)-5-氟-6-羟甲基-2-[4-(4-甲氧基苯甲基)-5-三氟甲基-1H-吡唑-3-氧基]-四氢吡喃-3,4-二醇或其互变异构体或水合物的工艺，具有较高的纯度和相对较高的产率，适用于工业规模生产。本发明还涉及合成中间体，可用于制备(2S,3R,4R,5S,6R)-5-氟-6-羟甲基-2-[4-(4-甲氧基苯甲基)-5-三氟甲基-1H-吡唑-3-氧基]-四氢吡喃-3,4-二醇或其互变异构体或水合物。

  公开号：

  WO2010077623A1
• 作为产物：
  描述：

  4-甲氧基氯苄 、 三氟乙酰乙酸乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成 4,4,4-trifluoro-2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  [EN] INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES
  [FR] INTERMÉDIAIRES ET PROCÉDÉS POUR LA PRÉPARATION DE DÉRIVÉS DE FLUOROGLYCOSIDE

  摘要：

  本发明提供了一种生产(2S,3R,4R,5S,6R)-5-氟-6-羟甲基-2-[4-(4-甲氧基苯甲基)-5-三氟甲基-1H-吡唑-3-氧基]-四氢吡喃-3,4-二醇或其互变异构体或水合物的工艺，具有较高的纯度和相对较高的产率，适用于工业规模生产。本发明还涉及合成中间体，可用于制备(2S,3R,4R,5S,6R)-5-氟-6-羟甲基-2-[4-(4-甲氧基苯甲基)-5-三氟甲基-1H-吡唑-3-氧基]-四氢吡喃-3,4-二醇或其互变异构体或水合物。

  公开号：

  WO2010077623A1

文献信息

• Fluoroketone enzyme inhibitors
  申请人：Becton, Dickinson and Company

  公开号：US05344952A1

  公开（公告）日：1994-09-06

  A method for enzyme immunoassay for a ligand suspected to be present in a liquid sample includes signal amplification by use of at least two enzymes and a blocked modulator for one of the enzymes. Ligand present in the liquid binds to an antiligand and an enzyme-labeled tracer. The resulting bound fraction is separated and the enzyme in the tracer removes the blocking group from the blocked modulator. The modulator activates or inhibits a second enzyme which catalyzes the conversion of a substrate to a product. The presence or absence of the ligand in the liquid is indicated by a signal, such as a color change or a rate of color change, associated with the product. The invention includes a new class of enzyme inhibitors and blocked inhibitors and a kit of materials useful for performing the method of the invention.

  一种用于酶免疫分析的方法，用于检测液体样品中可能存在的配体，包括利用至少两种酶和一个用于其中一种酶的阻断调节剂进行信号放大。液体中存在的配体与抗配体和标记酶的示踪剂结合。然后分离所得的结合分数，并且示踪剂中的酶去除阻断调节剂上的阻断基团。调节剂激活或抑制第二种酶，该酶催化底物转化为产物。液体中配体的存在或缺失由与产物相关的信号指示，例如颜色变化或颜色变化速率。该发明包括一类新型酶抑制剂和阻断抑制剂，以及用于执行该发明方法的一套有用材料。
• Layered sandwich assay method for chlamydia and materials therefor
  申请人：Becton, Dickinson and Company

  公开号：US05188937A1

  公开（公告）日：1993-02-23

  An assay for Chlamydia includes contacting Chlamydia organisms in a liquid with a solid support having an antispecies Fe antibody immobilized thereon and an anti-Chlamydia capture antibody. After binding of Chlamydia antigen to the capture antibody and binding of the capture antibody to the antispecies antibody on the support, a tracer including a label conjugated to a signal antibody is added. After binding of the signal antibody to the antigen, the presence of Chlamydia organisms in the liquid is detected by a signal associated with the label thereby bound to the support. The invention includes a kit of materials for performing an assay according to the method of the invention.

  一种检测沙眼衣原体的方法包括将沙眼衣原体与一种抗种属Fe抗体固定在其上的固定支持物和一种抗沙眼衣原体捕获抗体在液体中接触。在沙眼衣原体抗原结合到捕获抗体并捕获抗体与支持物上的抗种属抗体结合后，加入一种包括标记共轭到信号抗体的示踪物。在信号抗体与抗原结合后，通过与固定支持物结合的标记相关的信号检测液体中沙眼衣原体的存在。该发明包括一种用于执行该方法的试剂盒。
• Immunoassay on a preblocked solid surface
  申请人：Becton, Dickinson and Company

  公开号：US05208143A1

  公开（公告）日：1993-05-04

  A method for immunoassay of a viral antigen is performed on a membrane precoated with an inert protein. Nonimmunological capture of antigen takes place by absorption onto the coated membrane. Captured antigen binds to a tracer which includes a label conjugated to a specific antibody, the inert protein concomitantly inhibiting nonspecific binding of tracer. The label may be an enzyme which converts a substrate to a detectable product or converts a blocked inhibitor to an inhibitor whereby a second enzyme is inhibited from converting a substrate to a product. The invention includes a kit of materials for performing an assay in accordance with the method of the invention.

  一种病毒抗原免疫测定的方法是在预先涂覆惰性蛋白质的膜上进行的。抗原的非免疫捕获通过吸附到涂有膜的表面上进行。捕获的抗原结合到一个示踪物，该示踪物包括与特定抗体结合的标签，惰性蛋白质同时抑制示踪物的非特异性结合。标签可以是将底物转化为可检测产物的酶，或将阻塞的抑制剂转化为抑制剂，从而抑制第二个酶将底物转化为产物。该发明包括一套材料的套件，用于按照该发明的方法进行测定。
• Signal enhancement in immunoassay by modulation of enzymatic catalysis
  申请人：Becton, Dickinson and Company

  公开号：US04835099A1

  公开（公告）日：1989-05-30

  A method for enzyme immunoassay for a ligand suspected to be present in a liquid sample includes signal amplification by use of at least two hydrolases and a blocked fluoroketone for one of the hydrolases. Ligand present in the liquid binds to an antiligand and a hydrolase-labeled tracer. The resulting bound fraction is separated and the hydrolase in the tracer removes the blocking group from the blocked fluoroketone. The fluoroketone activates or inhibits a second hydrolase which catalyzes the conversion of a substrate to a product. The presence or absence of the ligand in the liquid is indicated by a signal, such as a color change or a rate of color change, associated with the product. The invention includes a new class of hydrolase inhibitors and blocked fluoroketones and a kit of materials useful for performing the method of the invention.

  一种用于检测液体样品中可能存在的配体的酶免疫测定方法，包括使用至少两种水解酶和一个被阻断的氟酮来进行信号放大，其中一个水解酶使用被阻断的氟酮。液体中存在的配体与抗配体和标记有水解酶的示踪剂结合。分离所得的结合分数，并且示踪剂中的水解酶去除被阻断氟酮中的阻断基团。氟酮激活或抑制第二种水解酶，该水解酶催化底物转化为产物。与产物相关的信号，如颜色变化或颜色变化速率，指示液体中配体的存在或不存在。该发明包括一类新的水解酶抑制剂和被阻断的氟酮，以及用于执行该发明方法的材料套件。
• Signal enhancement in immunoassay by inhibition of enzymatic catalysis
  申请人：Becton Dickinson and Company

  公开号：EP0271731A2

  公开（公告）日：1988-06-22

  A method for enzyme immunoassay for a ligand suspected to be present in a liquid sample includes signal amplification by use of at least two enzymes and a blocked modulator for one of the enzymes. Ligand present in the liquid binds to an antiligand and an enzyme-labeled tracer. The resulting bound fraction is separated and the enzyme in the tracer removes the blocking group from the blocked modulator. The modulator activates or inhibits a second enzyme which catalyzes the conversion of a substrate to a product. The presence or absence of the ligand in the liquid is indicated by a signal, such as a color change or a rate of color change, associated with the product. The invention includes a new class of enzyme inhibitors and blocked inhibitors and a kit of materials useful for performing the method of the invention.

  一种对怀疑存在于液体样品中的配体进行酶免疫测定的方法，包括使用至少两种酶和其中一种酶的阻断调节剂进行信号放大。 液体中存在的配体与抗配体和酶标记的示踪剂结合。 由此产生的结合部分被分离，示踪剂中的酶从阻断调节剂中去除阻断基团。 调节剂激活或抑制第二种酶，该酶催化底物向产物的转化。 液体中配体的存在与否通过与产物相关的信号（如颜色变化或颜色变化率）来指示。 本发明包括一类新的酶抑制剂和阻断抑制剂，以及一套用于实施本发明方法的材料。