Trans-3-[(3,5-bistrifluoromethyl phenyl)-aminocarbonyl]-5-bicyclo-(2,2,1)-heptene-2-carboxylic acid | 850150-78-6

• 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: Trans-3-[(3,5-bistrifluoromethyl phenyl)-aminocarbonyl]-5-bicyclo-(2,2,1)-heptene-2-carboxylic acid
• 英文别名: 3-[[3,5-Bis(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
• CAS: 850150-78-6
• 化学式: C₁₇H₁₃F₆NO₃
• 分子量: 393.286
• InChiKey: SWJPTXANGWVOFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  475.4±45.0 °C(Predicted)
• 密度：
  1.534±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Trans-3-[(3,5-bistrifluoromethyl phenyl)-aminocarbonyl]-5-bicyclo-(2,2,1)-heptene-2-carboxylic acid 在 sodium acetate 、 乙酸酐 作用下， 反应 4.0h， 生成 (3,4-dihydro-2H-pyran-2-yl-methoxymethyl)polystyrene 、 endo-N-3,5-bis(trifluoromethyl)phenyl-norbornene-5,6-dicarboximide
  参考文献：
  名称：

  The effect of fluorine atoms on gas transport properties of new polynorbornene dicarboximides

  摘要：

  The new N-4-trifluoromethylphenyl-norbornene-5,6-dicarboximide (2a) and N-3,5-bis(trifluoromethyl)phenyl-norbornene-5,6-dicarboximide (2b) mixtures of exo and endo monomers were synthesized and polymerized via ring opening metathesis polymerization (ROMP) using bis(tricyclohexylphosphine) benzylidene ruthenium(IV) dichloride (I) and tricyclohexylphosphine 11,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene] ruthenium dichloride (II) to produce the corresponding polynorbornene dicarboximides Poly-2a and Poly-2b, respectively. The transport of five gases He. N-2, O-2, CO2 and CH4 across membranes prepared from Poly-2a was determined at 35 degrees C using a constant volume permeation cell. The gas transport properties of the fluorine containing polymer Poly2a were compared with those found for membranes from non-fluorinated poly(N-phenyl-exo-elidonorbornene-5,6-dicarboximide) (P-PhNDI). Gas permeability, diffusion and solubility coefficients of the fluorine containing polynorbornene Poly-2a were up to an order of magnitude larger than those of the non-fluorinated one. Poly-2a was found to have one of the largest gas transport coefficients reported to date in glassy polynorbornene dicarboximides. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.09.011
• 作为产物：
  描述：

  纳迪克酸酐 、 间二(三氟甲基)苯胺 以 二氯甲烷 为溶剂， 以11.5 g的产率得到Trans-3-[(3,5-bistrifluoromethyl phenyl)-aminocarbonyl]-5-bicyclo-(2,2,1)-heptene-2-carboxylic acid
  参考文献：
  名称：

  The effect of fluorine atoms on gas transport properties of new polynorbornene dicarboximides

  摘要：

  The new N-4-trifluoromethylphenyl-norbornene-5,6-dicarboximide (2a) and N-3,5-bis(trifluoromethyl)phenyl-norbornene-5,6-dicarboximide (2b) mixtures of exo and endo monomers were synthesized and polymerized via ring opening metathesis polymerization (ROMP) using bis(tricyclohexylphosphine) benzylidene ruthenium(IV) dichloride (I) and tricyclohexylphosphine 11,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene] ruthenium dichloride (II) to produce the corresponding polynorbornene dicarboximides Poly-2a and Poly-2b, respectively. The transport of five gases He. N-2, O-2, CO2 and CH4 across membranes prepared from Poly-2a was determined at 35 degrees C using a constant volume permeation cell. The gas transport properties of the fluorine containing polymer Poly2a were compared with those found for membranes from non-fluorinated poly(N-phenyl-exo-elidonorbornene-5,6-dicarboximide) (P-PhNDI). Gas permeability, diffusion and solubility coefficients of the fluorine containing polynorbornene Poly-2a were up to an order of magnitude larger than those of the non-fluorinated one. Poly-2a was found to have one of the largest gas transport coefficients reported to date in glassy polynorbornene dicarboximides. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.09.011

文献信息

• The effect of fluorine atoms on gas transport properties of new polynorbornene dicarboximides
  作者：Joel Vargas、Araceli Martínez、Arlette A. Santiago、Mikhail A. Tlenkopatchev、Rubén Gaviño、Manuel Aguilar-Vega

  DOI：10.1016/j.jfluchem.2008.09.011

  日期：2009.2

  The new N-4-trifluoromethylphenyl-norbornene-5,6-dicarboximide (2a) and N-3,5-bis(trifluoromethyl)phenyl-norbornene-5,6-dicarboximide (2b) mixtures of exo and endo monomers were synthesized and polymerized via ring opening metathesis polymerization (ROMP) using bis(tricyclohexylphosphine) benzylidene ruthenium(IV) dichloride (I) and tricyclohexylphosphine 11,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene] ruthenium dichloride (II) to produce the corresponding polynorbornene dicarboximides Poly-2a and Poly-2b, respectively. The transport of five gases He. N-2, O-2, CO2 and CH4 across membranes prepared from Poly-2a was determined at 35 degrees C using a constant volume permeation cell. The gas transport properties of the fluorine containing polymer Poly2a were compared with those found for membranes from non-fluorinated poly(N-phenyl-exo-elidonorbornene-5,6-dicarboximide) (P-PhNDI). Gas permeability, diffusion and solubility coefficients of the fluorine containing polynorbornene Poly-2a were up to an order of magnitude larger than those of the non-fluorinated one. Poly-2a was found to have one of the largest gas transport coefficients reported to date in glassy polynorbornene dicarboximides. (C) 2008 Elsevier B.V. All rights reserved.