α-(α,α,α-trifluoro-p-tolyl)-4-morpholineacetonitrile | 66573-60-2

• 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: α-(α,α,α-trifluoro-p-tolyl)-4-morpholineacetonitrile
• 英文别名: α-(p-trifluoromethylphenyl)-4-morpholineacetonitrile；α-[4-trifluoromethylphenyl]-4-morpholineacetonitrile；morpholin-4-yl-(4-trifluoromethyl-phenyl)-acetonitrile；α-(4-Trifluormethylphenyl)morpholinoacetonitril；2-(Morpholin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile；2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]acetonitrile
• CAS: 66573-60-2
• 化学式: C₁₃H₁₃F₃N₂O
• mdl: MFCD12514535
• 分子量: 270.254
• InChiKey: KTYBOGFKROWNJQ-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C(Solv: hexane (110-54-3))
• 沸点：
  320.6±42.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  α-(α,α,α-trifluoro-p-tolyl)-4-morpholineacetonitrile 生成 [2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethenylidene]azanide
  参考文献：
  名称：

  BORDWELL, F. G.;BAUSCH, MARK J.;CHENG, JIN-PEI;CRIPE, THONAS H.;LYNCH, TS+, J. ORG. CHEM., 55,(1990) N, C. 58-63

  摘要：

  DOI：
• 作为产物：
  描述：

  对三氟甲基苯甲醛 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 吗啉 、 水 为溶剂， 生成 α-(α,α,α-trifluoro-p-tolyl)-4-morpholineacetonitrile
  参考文献：
  名称：

  6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents

  摘要：

  这份披露描述了作为降压药物有用的新型取代的6-苯基-1,2,4-三唑并[4,3-b]吡啶嗪。

  公开号：

  US04112095A1

文献信息

• Substituted thio-substituted benzyl-propionyl-L-prolines
  申请人：American Cyanamid Company

  公开号：US04226775A1

  公开（公告）日：1980-10-07

  This disclosure describes novel substituted .omega.-aroyl(propionyl or butyryl)-L-prolines and the esters and cationic salts thereof which are useful as hypotensive agents in mammals.

  这份披露描述了新型的取代的ω-芳酰基（丙酰基或丁酰基）-L-脯氨酸及其酯和阳离子盐，它们在哺乳动物中作为降血压剂是有用的。
• Method for treating anxiety in mammals
  申请人：American Cyanamid Company

  公开号：US04117130A1

  公开（公告）日：1978-09-26

  This disclosure describes compositions of matter useful as anxiolytic agents and the method of meliorating anxiety in mammals therewith; the active ingredients of said compositions of matter being certain substituted 6-phenyl-1,2,4-triazolo[4,3-b]pyridazines or the pharmacologically acceptable acid-addition salts thereof.

  这份披露描述了作为抗焦虑剂有用的物质组合，以及通过这些物质改善哺乳动物焦虑的方法；所述物质组合的活性成分是某些取代的6-苯基-1,2,4-三氮唑[4,3-b]吡啶嗪或其药理学上可接受的酸加合盐。
• Oxygenated heterocyclic compounds, pharmaceutical compositions containing them
  申请人：OXACO S.A.

  公开号：EP0585080A3

  公开（公告）日：1994-04-13

  Compounds having antiparasitic properties are 1,2,4-trioxanes of the formula : in which : R1 and R2 together with the adjacent carbon atom form a cycloalkyl group which may be interrupted by an oxygen atom ;R3 is a hydrogen atom or a hydroxyl gorup or etherified or esterified hydroxyl group, having the exo or the endo configuration, which, when an etherified, esterified or aminated group, may be further functionalized with a phosphate, phosphonate, carbamate or carboxylate group ;R4 is an aromatic substituent, optionally substituted with a halogen atom, an alkyl group, a trifluoromethyl group, an alkoxy-alkoxy group or an alkylamino group ; and the dotted lines between positions 5 and 6 and positions 6 and 7 indicate that there is present a 5,6- or 6,7- double bond.

  具有抗寄生虫特性的化合物是具有以下结构的1,2,4-三氧杂环戊烷类化合物：其中：R1和R2与相邻的碳原子形成一个环烷基团，该基团可能被氧原子中断；R3是氢原子或羟基团或醚化或酯化的羟基团，具有外向或内向构型，当为醚化、酯化或胺化基团时，可能进一步与磷酸酯、膦酸酯、氨基甲酸酯或羧酸酯基团功能化；R4是芳香取代基，可选择性地取代有卤原子、烷基、三氟甲基、烷氧基-烷氧基基团或烷基氨基基团；虚线表示5和6位置以及6和7位置之间存在5,6-或6,7-双键。
• Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0010347A1

  公开（公告）日：1980-04-30

  The present invention provides novel substituted ω-aroyl(propionyl or butyryl) -L-prolines, pharmaceuticat compositions containing them useful for reducing blood pressure by inhibiting the conversion of angiotensin I to angiotensin II, and processes for preparing the novel compounds. The novel compounds are those of the formulae: wherein n is zero or one; R is hydrogen or alkyl having up to 3 carbon atoms; R2 is hydrogen, phenyl or alkyl having up to 3 carbon atoms; R3 is mercapto, formylthio, benzoylthio, alt noylthio having from 2 to 4 carbon atoms or moieties of the formulae: and wherein R9 is phenyl or substituted phenyl; R4 is hydrogen, phenyl or alkyl having up to 4 carbon atoms; R5 is hydrogen or alkyl having up to 4 carbon atoms; and ARYL is selected from the group consisting of 1-naphthyl, 2-naphthyl, 4-chloro-1-naphthyl, 5, 6,7, 8-tetrahydro -1-naphthyl, 5, 6, 7, 8-tetrahydro -2-naphthyl, 4-methoxy-1 -naphthyl, 5-acenaphthyl, 4-biphenylyl, 5-indanyl, 4-indanyl and moieties of the formula: wherein R6 is selected from the group consisting of hydrogen, fluoro, chloro, bromo, trifluoromethyl, cyano, amino, phenoxy, halophenoxy, phenylthio, halophenylthio, p-cyclohexylphenoxy, alkyl having up to 4 carbon atoms, alkoxy having up to4 carbon atoms, alkylamino having up to 4 carbon atoms, alkanoylamino having from 2 to 4 carbon atoms and alkoxycarbonyl having from 2 to 4 carbon atoms, R- is selected from the group consisting of chloro, fluoro, bromo, alkyl having up to 4 carbon atoms and alkoxy having up to 4 carbon atoms, and m is zero, one or two; and the pharmacologically acceptable cationic salts thereof when R5 is hydrogen.

  本发明提供了新型取代的ω-芳酰基（丙酰基或丁酰基）-L-脯氨酸、含有它们的通过抑制血管紧张素Ⅰ向血管紧张素Ⅱ的转化来降低血压的药物组合物，以及制备这些新型化合物的工艺。新型化合物为以下式中的化合物： 其中 n 为 0 或 1；R 为氢或最多 3 个碳原子的烷基；R2 为氢、苯基或最多 3 个碳原子的烷基；R3 为巯基、甲硫基、苯甲酰硫基、具有 2 至 4 个碳原子的烷基硫基或式中的分子： 其中 R9 是苯基或取代苯基；R4 是氢、苯基或最多 4 个碳原子的烷基；R5 是氢或最多 4 个碳原子的烷基；ARYL 选自由 1-萘基、2-萘基、4-氯-1-萘基、5、6、7、8-四氢-1-萘基、5、6、7、8-四氢-2-萘基、4-甲氧基-1-萘基、5-苊基、4-联苯基、5-茚基、4-茚基和式如下的分子组成的组： 其中 R6 选自由氢、氟、氯、溴、三氟甲基、氰基、氨基、苯氧基、卤代苯氧基、苯硫基、卤代苯硫基、对环己基苯氧基、最多 4 个碳原子的烷基、最多 4 个碳原子的烷氧基、最多 4 个碳原子的烷基氨基组成的组、R-选自由氯、氟、溴、最多 4 个碳原子的烷基和最多 4 个碳原子的烷氧基组成的组，且 m 为 0、1 或 2；及其药理学上可接受的阳离子盐（当 R5 为氢时）。
• Steric inhibition of synergistic radical stabilizing effects
  作者：F. G. Bordwell、Mark J. Bausch、Jin Pei Cheng、Thomas H. Cripe、Tsuei Yun Lynch、Mark E. Mueller

  DOI：10.1021/jo00288a012

  日期：1990.1