1,1,1-trifluoro-3-phenylbutan-2-one | 118006-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1,1-trifluoro-3-phenylbutan-2-one
• CAS: 118006-64-7
• 化学式: C₁₀H₉F₃O
• 分子量: 202.176
• InChiKey: ZYVYQGWTGGGCTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1,1-trifluoro-3-phenylbutan-2-one 在 lithium aluminium tetrahydride 作用下， 以84%的产率得到1,1,1-trifluoro-3-phenyl-2-butanol
  参考文献：
  名称：

  1,1,1-Trifluoro-3-phenyl-2-butylp-Nitrobenzoate

  摘要：

  The reduction of the trifluoromethylated ketone, 1,1,1-trifluoro-3-phenyl-2-butanone, (1), or its hydrogenated homologue, 3-phenyl-2-butanone, (2), with lithium aluminium hydride (LAH) gave 1,1,1-trifluoro-3-phenyl-2-butanol, (4), or 3-phenyl-2-butanol, (3), respectively, as a mixture of the (R*R*)/(R*S*) isomers. The title compound, C17H14F3NO4, (5), was obtained by a benzoylation reaction of the major diastereoisomer of (4). The threo-(R*R*) configuration is clearly evidenced in the crystal structure of (5). So, in the reduction of (1) or (2), the three isomer is the major product. It is note-worthy that the presence of the CF3 group enhances the diastereoselectivity of the reduction reaction.

  DOI：

  10.1107/s0108270197008822
• 作为产物：
  描述：

  N,N-Dimethyl-N'-[2-phenyl-1-trifluoromethyl-prop-(E)-ylidene]-hydrazine 在 盐酸 作用下， 以 乙醚 为溶剂， 以65%的产率得到1,1,1-trifluoro-3-phenylbutan-2-one
  参考文献：
  名称：

  三氟甲氧基锡对三溴甲烷的证明

  摘要：

  我们希望报告烯丙基溴化镁的异常反应性。该格氏试剂用作三氟甲基化酮的还原剂。建议单次电子转移来解释还原过程。通过使用过量的烯丙基溴化镁，获得排他的加成反应。讨论了加成和还原反应的立体化学。

  DOI：

  10.1016/0022-1139(94)03097-j

文献信息

• A new entry for the oxidation of fluoroalkyl-substituted methanol derivatives: Scope and limitation of the organoiodine(V) reagent-catalyzed oxidation
  作者：Yusuke Tanaka、Takashi Ishihara、Tsutomu Konno

  DOI：10.1016/j.jfluchem.2012.03.002

  日期：2012.5

  Oxidation of various fluoroalkyl-substituted methanol derivatives under the influence of a catalytic amount of sodium 2-iodobenzenesulfonate and Oxone® in CH3CN or CH3NO2 was investigated in detail. The efficiency of the newly developed oxidation was also evaluated by comparison to other oxidations, such as Dess–Martin, PDC, and Swern oxidation.

  钠2-碘和过硫酸氢钾的催化量的影响下的各种氟烷基取代甲醇衍生物的氧化®在CH 3 CN或CH 3 NO 2详细进行了研究。通过与其他氧化方法（如Dess-Martin，PDC和Swern氧化方法）进行比较，还评估了新开发的氧化方法的效率。
• A novel synthesis of perfluoroalkyl alkyl ketones
  作者：Weiming Qiu、Yanchang Shen

  DOI：10.1016/s0022-1139(00)83033-x

  日期：1988.1

  A novel synthesis of perfluoroalkyl alkyl ketones via the hydrolysis of fluorinated β-ketophosphonium salts is described. In view of the fact that a one-pot reaction without isolation of intermediates and the total yield in 2 steps reaches 37-78%, the present method provides a convenient synthesis of the title compounds.

  描述了通过氟化β-酮ke盐的水解来合成全氟烷基烷基酮的新方法。考虑到不需分离中间体的一锅法反应，且两步反应的总收率达到37-78％的事实，本发明方法提供了标题化合物的方便合成。
• 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists
  申请人：Doherty A. George

  公开号：US20060161005A1

  公开（公告）日：2006-07-20

  The present invention encompasses compounds of Formula (I): as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖以下式子(I)的化合物：以及其药学上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病况，如骨髓、器官和组织移植排斥。还包括药物组成物和使用方法。
• N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists
  申请人：Doherty A. George

  公开号：US20050020837A1

  公开（公告）日：2005-01-27

  The present invention encompasses compounds of Formula (I) as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖公式（I）的化合物以及其药学上可接受的盐和水合物。该化合物可用于治疗免疫介导的疾病和病况，如骨髓、器官和组织移植排斥反应。包括药物组合物和使用方法。
• Edg receptor agonists
  申请人：Bugianesi L. Robert

  公开号：US20050033055A1

  公开（公告）日：2005-02-10

  The present invention encompasses compounds of Formula 1: as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖公式1的化合物，以及其药学上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病况，例如骨髓、器官和组织移植排斥。还包括制药组合物和使用方法。