2-甲基-4-氧代-4-(4-三氟甲基苯基)丁酸 | 75380-98-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲基-4-氧代-4-(4-三氟甲基苯基)丁酸
• 英文名称: 2-methyl-4-oxo-4-(4-trifluoromethylphenyl)butanoic acid
• 英文别名: 2-Methyl-3-(p-trifluoromethylbenzoyl)propionic acid；2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
• CAS: 75380-98-2
• 化学式: C₁₂H₁₁F₃O₃
• mdl: MFCD04972252
• 分子量: 260.213
• InChiKey: XTARXFGEVMNZNT-UHFFFAOYSA-N

物化性质

• 沸点：
  379.2±42.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2918300090

反应信息

• 作为产物：
  描述：

  2methyl-3-(p-trifluoromethylbenzoyl)-propionitrile 以 盐酸 为溶剂， 生成 2-甲基-4-氧代-4-(4-三氟甲基苯基)丁酸
  参考文献：
  名称：

  Substituted thio-substituted benzyl-propionyl-L-prolines

  摘要：

  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。

  公开号：

  US04226775A1

文献信息

• Magnesium-Promoted Reductive Carboxylation of Aryl Vinyl Ketones: Synthesis of γ-Keto Carboxylic Acids
  作者：Suhua Zheng、Tianyuan Zhang、Hirofumi Maekawa

  DOI：10.1021/acs.joc.2c00557

  日期：2022.6.3

  Direct reductive carboxylation of easily prepared aryl vinyl ketones under the atmosphere of carbon dioxide led to the selective formation of γ-keto carboxylic acids in 38–86% yields. The reaction is characterized by the carbon–carbon bond formation of carbon dioxide at the β-position of enone, with the use of magnesium turnings that can be easily handled as the reducing agent and the eco-friendly

  容易制备的芳基乙烯基酮在二氧化碳气氛下的直接还原羧化导致以 38-86% 的产率选择性形成 γ-酮基羧酸。该反应的特点是二氧化碳在烯酮的β位形成碳-碳键，使用易于处理的镁屑作为还原剂，以及无加压、无压力等环保反应条件。反应温度低或高，反应时间短。该协议显示了广泛的底物范围，并提供了一种有用且方便的替代方法来获取生物学上重要的 γ-酮羧酸。
• Electrophilic 1,4-Addition of Carbon Dioxide and Aldehydes to Enones
  作者：Shintaro Okumura、Kaoru Torii、Yasuhiro Uozumi

  DOI：10.1021/acs.orglett.3c01675

  日期：2023.7.21

  An umpoled electrophilic 1,4-addition to enones was achieved under photocatalytic conditions. Various enones reacted with CO2 in the presence of an iridium photocatalyst and a benzimidazoline reductant under blue-light irradiation to give the corresponding γ-keto carboxylic acids. Aldehydes also coupled with enones under similar photocatalytic conditions to afford γ-keto alcohols (homoaldols) that

  在光催化条件下实现了烯酮的未极化亲电 1,4-加成。各种烯酮在铱光催化剂和苯并咪唑啉还原剂存在下在蓝光照射下与CO 2反应生成相应的γ-酮基羧酸。醛还在类似的光催化条件下与烯酮偶联，得到γ-酮醇（高醛醇），通过共沸后处理将其转化为二氢呋喃和四氢呋喃。D 2 O 在 β 位的区域选择性氘掺入表明 1,4-加成是通过高烯醇阴离子发生的。
• 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）。
• US4226775A
  申请人：——

  公开号：US4226775A

  公开（公告）日：1980-10-07
• 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。