2-Hydroxy-4-(tosyloxy)-1,1,1-trifluorobutane | 82898-65-5

• 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: 2-Hydroxy-4-(tosyloxy)-1,1,1-trifluorobutane
• 英文别名: hydroxy-2, tosyloxy-4 trifluoro-1,1,1 butane；(±)-4,4,4-trifluoro-3-hydroxybutyl-4-methylbenzene sulfonate；(4,4,4-trifluoro-3-hydroxybutyl) 4-methylbenzenesulfonate；4-Toluenesulfonic acid 4,4,4-trifluoro-3-hydroxybutyl ester
• CAS: 82898-65-5
• 化学式: C₁₁H₁₃F₃O₄S
• 分子量: 298.283
• InChiKey: OJNYFPDUUFJQBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-4-(tosyloxy)-1,1,1-trifluorobutane 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 以100%的产率得到4-(Tosyloxy)-1,1,1-trifluoro-2-butanone
  参考文献：
  名称：

  Synthesis and Spin-Trapping Chemistry of 5,5-Dimethyl-2-(trifluoromethyl)-1-pyrroline N-Oxide

  摘要：

  A new five-membered ring nitrone, 5,5-dimethyl-2-(trifluoromethyl)-1-pyrroline N-oxide (2-TFDMPO), is synthesized for the purpose of spin trapping in free radical biology. Most of the spin adducts of 2-TFDMPO are persistent, and EPR, ENDOR, and MS spectra can be obtained. A variety of radicals give characteristic spectral signatures, among which is a rare type of line width alternation pattern due to hindered rotation of the trifluoromethyl group.

  DOI：

  10.1021/jo00122a021
• 作为产物：
  描述：

  (R)-4,4,4-三氟-1,3-丁二醇 以40的产率得到2-Hydroxy-4-(tosyloxy)-1,1,1-trifluorobutane
  参考文献：
  名称：

  Tetrahedron Lett. 2013, 54, 6129-6132

  摘要：

  DOI：

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• Tricyclic amide derivatives
  申请人：Nettekoven Matthias

  公开号：US20070135416A1

  公开（公告）日：2007-06-14

  The present invention relates to compounds of formula I wherein A, G, r and R 1 to R 5 are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prevention of diseases which are associated with the modulation of H3 receptors.

  本发明涉及式I的化合物 其中A、G、r和R 1 至R 5 如描述和索赔中所定义，并且其药学上可接受的盐。这些化合物可用于治疗和/或预防与H3受体调节相关的疾病。
• Synthese de la trifluoromethyl-vinyl-cetone
  作者：M. Tordeux、C. Wakselman

  DOI：10.1016/s0022-1139(00)82221-6

  日期：1982.5

  The synthesis of trifluoromethylvinylketone is described. The metal hydride reduction of ethyl trifluoroacetoacetate gives the glycol . Selective tosylation of occurs on the primary hydroxyl group and leads to . Tosyl-chloride exchange produces the chlorohydrin which is oxydized to the β chloroketone . The dehydrohalogenation of leads to the fluorinated ethylenic ketone .

  描述了三氟甲基乙烯基酮的合成。三氟乙酰乙酸乙酯的金属氢化物还原得到二元醇。的选择性甲苯磺酸化发生在伯羟基上并导致。甲苯磺酰氯交换产生氯代醇，氯代醇被氧化成β氯酮。铅的脱卤化氢生成氟化的乙烯酮。
• Insights on Nuclease Mechanism: The Role of Proximal Ammonium Group on Phosphate Esters Cleavage
  作者：Renato Bonomi、Giacomo Saielli、Umberto Tonellato、Paolo Scrimin、Fabrizio Mancin

  DOI：10.1021/ja9033236

  日期：2009.8.19

  The role of remotely located ammonium groups in the active site of many phosphate-cleaving enzymes is investigated by using model systems thus providing mechanistic hints to a still unsolved problem.

  通过使用模型系统研究了远程铵基团在许多磷酸盐裂解酶的活性位点中的作用，从而为尚未解决的问题提供了机械提示。
• Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase
  申请人：——

  公开号：US20040220234A1

  公开（公告）日：2004-11-04

  There are provided novel compounds of formula (I) [Chemical formula should be inserted here. Please see paper copy] wherein R 1 , R 2 , R 3 , T, U, X, Y, V and W are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of nitric oxide synthase and are thereby particularly useful in the treatment or prophylaxis of inflammatory disease, CNS disorders and pain.

  提供了一些新颖的化合物，化学式为(I) [化学式应在此处插入，请查看纸质副本]，其中R1、R2、R3、T、U、X、Y、V和W的定义如规范中所述，以及其药学上可接受的盐；以及它们的制备方法、含有它们的组合物以及它们在治疗中的用途。这些化合物是一氧化氮合酶的抑制剂，因此在治疗或预防炎症性疾病、中枢神经系统疾病和疼痛方面特别有用。