ethyl 2-(trifluoromethyl)but-2-enoate | 1215018-51-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2-(trifluoromethyl)but-2-enoate
• CAS: 1215018-51-1
• 化学式: C₇H₉F₃O₂
• 分子量: 182.142
• InChiKey: QLZTYFICDNPHAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-(trifluoromethyl)but-2-enoate 在 5% Pd(II)/C(eggshell) 氢气 、 羟胺 作用下， 以 甲醇 、 水 为溶剂， 20.0~50.0 ℃ 、500.01 kPa 条件下， 反应 2.5h， 生成
  参考文献：
  名称：

  EP2327685

  摘要：

  公开号：

文献信息

• [EN] CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] DERIVES DE CHROMENE A TITRE D'AGENTS ANTI-INFLAMMATOIRES
  申请人：PHARMACIA CORP

  公开号：WO2004087687A1

  公开（公告）日：2004-10-14

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula (I). Wherein Z, X, R1, R2, R3, and R4 are as described in the specification.

  该发明涉及在治疗与环氧合酶-2介导的疾病相关的情况中具有效用的方法和化合物。特别感兴趣的化合物是由式(I)定义的苯并吡喃和它们的类似物。其中Z、X、R1、R2、R3和R4如规范中所述。
• Benzopyran compounds useful for treating inflammatory conditions
  申请人：Carter Jeffery

  公开号：US20050148777A1

  公开（公告）日：2005-07-07

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula 1 Wherein Z, X, R 1 , R 2, R 3 , and R 4 are as described in the specification.

  本发明涉及与环氧合酶-2介导的疾病相关的病症治疗方法和化合物。特别感兴趣的化合物是由公式1定义的苯并吡喃和其类似物，其中Z、X、R1、R2、R3和R4如规范中所述。
• Benzopyran compounds for use in the treatment and prevention of inflammation related conditions
  申请人：Carter Jeffery

  公开号：US20050148627A1

  公开（公告）日：2005-07-07

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula 1 Wherein Z, X, R 1 , R 2 , R 3 , and R 4 are as described in the specification.

  本发明涉及用于治疗与环氧合酶-2介导的疾病相关的条件的方法和化合物。特别感兴趣的化合物是苯并吡喃和它们的类似物，其由公式1定义，其中Z、X、R1、R2、R3和R4如规范中所述。
• Process for Production of Alpha-Trifluoromethyl-Beta-Substituted-Beta-Amino Acid
  申请人：Ishii Akihiro

  公开号：US20110152536A1

  公开（公告）日：2011-06-23

  α-Trifluoromethyl-β-substituted-β-amino acids can be produced by allowing α-trifluoromethyl-β-substituted-α,β-unsaturated esters to react with hydroxylamine to convert α-trifluoromethyl-β-substituted-α,β-unsaturated esters into dehydrogenated closed-ring body of α-trifluoromethyl-β-substituted-β-amino acid, and by hydrogenolyzing the dehydrogenated closed-ring body. According to this production process, novel α-trifluoromethyl-β-substituted-β-amino acids which are free amino acids whose functional groups are not protected can be produced, in which β-position substituent is not limited to aromatic ring group or substituted aromatic ring group while the relative stereochemistry of α-position and β-position can be also controlled.

  α-三氟甲基-β-取代-β-氨基酸可以通过让α-三氟甲基-β-取代-α，β-不饱和酯与羟胺反应来转化成α-三氟甲基-β-取代-β-氨基酸的脱氢闭环体，再通过氢解脱氢闭环体来生产。根据这种生产过程，可以生产出新型的α-三氟甲基-β-取代-β-氨基酸，这些氨基酸是自由氨基酸，其功能团未受保护，其中β位取代基不仅限于芳环基团或取代芳环基团，而且α位和β位的相对立体化学也可以被控制。
• PROCESS FOR PRODUCTION OF -TRIFLUOROMETHYL- -SUBSTITUTED- -AMINO ACID
  申请人：Central Glass Company, Limited

  公开号：EP2327685A1

  公开（公告）日：2011-06-01

  α-trifluoromethyl-β-substituted-β-amino acids can be produced by allowing α-trifluoromethyl-β-substituted-α,β-unsaturated esters to react with hydroxylamine to convert α-trifluoromethyl-β-substituted-α,β-unsaturated esters into dehydrogenated closed-ring body of α-trifluoromethyl-β-substituted-β-amino acid, and by hydrogenolyzing the dehydrogenated closed-ring body. According to this production process, novel α-trifluoromethyl-β-substituted-β-amino acids which are free amino acids whose functional groups are not protected can be produced, in which β-position substituent is not limited to aromatic ring group or substituted aromatic ring group while the relative stereochemistry of α-position and β-position can be also controlled.

  让 α-三氟甲基-β-取代的-α,β-不饱和酯与羟胺反应，转化成 α-三氟甲基-β-取代的-α,β-不饱和酯，就可以生产出 α-三氟甲基-β-取代的-α,β-氨基酸。 α-三氟甲基-β-取代-α,β-不饱和酯与羟胺反应，转化为脱氢闭环体的 α-三氟甲基-β-取代-β-氨基酸的脱氢闭环体，并对脱氢闭环体进行氢解。根据这一生产工艺，可以生产出新型的α-三氟甲基-β-取代-β-氨基酸，这种氨基酸属于游离氨基酸，其官能团不受保护，其中β位取代基不限于芳环基或取代芳环基，同时还可以控制α位和β位的相对立体化学性质。