1,1,1-trifluoromethyl-2,4-pentanedione | 52902-93-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1-trifluoromethyl-2,4-pentanedione
• 英文别名: 6,6,6-trifluoro-hexane-2,4-dione；6,6,6-trifluorohexane-2,4-dione
• CAS: 52902-93-9
• 化学式: C₆H₇F₃O₂
• 分子量: 168.116
• InChiKey: VGVXDWJCEZFHFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  145.7±35.0 °C(Predicted)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoromethyl-2,4-pentanedione 在 磺酰氯 、 四磷十氧化物 、 四丁基溴化铵 、 palladium diacetate 、 sodium carbonate 、 三苯基膦 作用下， 以 乙二醇二甲醚 、 磷酸三乙酯 、 水 、 溶剂黄146 为溶剂， 反应 60.0h， 生成 6-methoxy-4-methyl-8-nitro-2-trifluoromethyl-5-(3-trifluoromethylphenyl)-quinoline
  参考文献：
  名称：

  Antimalarial Activity of Novel 5-Aryl-8-Aminoquinoline Derivatives

  摘要：

  In an attempt to separate the antimalarial activity of tafenoquine (3) from its hemolytic side effects in glucose-6-phosphate dehydrogenase (G6PD) deficiency patients, a series of 5-aryl-8-aminoquinoline derivative, was prepared and assessed for antimalarial activities The new compounds were found metabolically stable in human and mouse microsomal preparations, with t(1/2) > 60 mm, and were equal to or more potent than primaquine (2) and 3 against Plasmodium falciparum cell growth The new agents were more active against the chloroquine (CQ) resistant clone than to the CQ-sensitive clone Analogues with electron donating groups showed better activity than those with electron withdrawing substituents Compounds 4bc, 4bd, and 4be showed comparable therapeutic index (TI) to that of 2 and 3, with TI ranging from 5 to 8 based on IC50 data The new compounds showed no significant causal prophylactic activity in mice infected with Plasmodium berghei sporozoites, but are substantially less toxic than 2 and 3 in mouse tests

  DOI：

  10.1021/jm100911f
• 作为产物：
  描述：

  氟乙酰 、 偏氟乙烯 在 五氟化锑 作用下， 以 liquid sulphur dioxide 为溶剂， 生成 1,1,1-trifluoromethyl-2,4-pentanedione
  参考文献：
  名称：

  Electrophilic acylation of fluoroolefins in presence of antimony pentafluoride

  摘要：

  DOI：

  10.1007/bf00923541

文献信息

• DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME
  申请人：SANO Satoshi

  公开号：US20090246481A1

  公开（公告）日：2009-10-01

  A dispersion of a water-insoluble colorant containing: a medium containing water; fine particles of the water-insoluble colorant; and a polymer compound or a surfactant that includes at least one kind of electron-withdrawing group or group of atoms represented by any one of formulae (I) to (IV) as its hydrophilic part: wherein at least one of X 1 and X 2 represents an electron-withdrawing linking group on the condition that when at least one of X 1 and X 2 is not the linking group, the at least one of X 1 and X 2 represents an electron-withdrawing substituent; R 1 represents a hydrogen atom or a substituent; and M represents a hydrogen atom or a metal atom.

  一种水不溶性着色剂的分散体，包括：含水介质；水不溶性着色剂的细小颗粒；以及聚合物化合物或表面活性剂，其包含至少一种电子吸引基团或由式（I）至（IV）中的任何一种原子团表示的原子团作为其亲水部分：其中X1和X2中至少一个表示电子吸引连接基团，条件是当X1和X2中至少一个不是连接基团时，X1和X2中的至少一个表示电子吸引取代基；R1表示氢原子或取代基；M表示氢原子或金属原子。
• 2-Arylpyrazolo[L,5-Alpha] Pyrimidin-3-YL Acetamide Derivatives as Ligands for Translocator Protein (18 Kda)
  申请人：Kassiou Michael

  公开号：US20090311176A1

  公开（公告）日：2009-12-17

  The invention provides compounds of formula (I) radiolabelled with 18 F, 123 I, 76 Br, 124 I or 75 Br and salts thereof, and a method of imaging translocator protein (18 kDa) (TSPO) in a subject comprising administering a compound of formula (I) radiolabelled with 18 F, 123 I, 76 Br, 124 I or 75 Br or a pharmaceutically acceptable salt thereof. The invention further provides fluoro-substituted compounds of formula (II) and salts thereof, and a method of treating a neurodegenerative disorder, inflammation or anxiety in a subject comprising administering a compound of formula (II) or a pharmaceutically acceptable salt thereof.

  本发明提供了公式（I）的化合物，其用18F，123I，76Br，124I或75Br标记，以及其盐，并且提供了一种成像跨膜转运蛋白（18 kDa）（TSPO）的方法，包括给予用18F，123I，76Br，124I或75Br标记的公式（I）的化合物或其药学上可接受的盐。本发明还提供了公式（II）的氟代取代化合物及其盐，并且提供了一种治疗神经退行性疾病，炎症或焦虑症的方法，包括给予公式（II）的化合物或其药学上可接受的盐。
• 2-ARYLPYRAZOLO[L,5-ALPHA]PYRIMIDIN-3-YL ACETAMIDE DERIVATIVES AS LIGANDS FOR TRANSLOCATOR PROTEIN (18 KDA)
  申请人：Kassiou Michael

  公开号：US20120189548A1

  公开（公告）日：2012-07-26

  The invention provides compounds of formula (I) radiolabelled with 18 F, 123 I, 76 Br, 124 I or 75 Br and salts thereof, and a method of imaging translocator protein (18 kDa) (TSPO) in a subject comprising administering a compound of formula (I) radiolabelled with 18 F, 123 I, 76 Br, 124 I or 75 Br or a pharmaceutically acceptable salt thereof. The invention further provides fluoro-substituted compounds of formula (II) and salts thereof, and a method of treating a neurodegenerative disorder, inflammation or anxiety in a subject comprising administering a compound of formula (II) or a pharmaceutically acceptable salt thereof.

  本发明提供了公式（I）的化合物，其被放射性标记为18F，123I，76Br，124I或75Br以及其盐，并提供了一种成像转运蛋白（18 kDa）（TSPO）的方法，包括给予公式（I）的化合物，该化合物被放射性标记为18F，123I，76Br，124I或75Br或其药学上可接受的盐。本发明还提供了公式（II）的氟代取代化合物及其盐，并提供了一种治疗神经退行性疾病，炎症或焦虑的方法，包括给予公式（II）的化合物或其药学上可接受的盐。
• Dispersion of water-insoluble colorant, method of producing substance containing water-insoluble colorant, fine particles of water-insoluble colorant, dispersing agent for water-insoluble colorant, and recording liquid, ink set, printed article, method of forming image and image forming apparatus using the same
  申请人：Fujifilm Corporation

  公开号：EP2110416A2

  公开（公告）日：2009-10-21

  A dispersion of a water-insoluble colorant containing: a medium containing water; fine particles of the water-insoluble colorant; and a polymer compound or a surfactant that includes at least one kind of electron-withdrawing group or group of atoms represented by any one of formulae (I) to (IV) as its hydrophilic part: wherein at least one of X1 and X2 represents an electron-withdrawing linking group on the condition that when at least one of X1 and X2 is not the linking group, the at least one of X1 and X2 represents an electron-withdrawing substituent; R1 represents a hydrogen atom or a substituent; and M represents a hydrogen atom or a metal atom.

  一种水不溶性着色剂的分散液，其中包含：含水介质；水不溶性着色剂的细颗粒；以及聚合物化合物或表面活性剂，其亲水部分包括至少一种由式（I）至（IV）中任一项所代表的抽电子基团或原子团： 其中 X1 和 X2 中至少有一个代表抽电子连接基团，条件是当 X1 和 X2 中至少有一个不是连接基团时，X1 和 X2 中至少有一个代表抽电子取代基；R1 代表氢原子或取代基；M 代表氢原子或金属原子。
• 2-Arylpyrazolo[l,5-alpha]pyrimidin-3-yl acetamide derivatives as ligands for translocator protein (18 kDa)
  申请人：THE UNIVERSITY OF SYDNEY

  公开号：EP2035421B1

  公开（公告）日：2014-07-02