3-[[4-[[4-[(3-carboxybicyclo[2.2.1]hept-5-ene-2-carbonyl)amino]phenyl]methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid | 53184-71-7

• 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: 3-[[4-[[4-[(3-carboxybicyclo[2.2.1]hept-5-ene-2-carbonyl)amino]phenyl]methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
• CAS: 53184-71-7；69534-77-6
• 化学式: C₃₁H₃₀N₂O₆
• 分子量: 526.589
• InChiKey: PIRUOSZFAWEEFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  132.8
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-[[4-[[4-[(3-carboxybicyclo[2.2.1]hept-5-ene-2-carbonyl)amino]phenyl]methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 在 吡啶 、 乙酸酐 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 以2 g的产率得到4-{4-[(4-{3,5-Dioxo-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl}phenyl)methyl]phenyl}-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
  参考文献：
  名称：

  Polyimide Aerogels by Ring-Opening Metathesis Polymerization (ROMP)

  摘要：

  Polyimide aerogel monoliths are prepared by ring-opening metathesis polymerization (ROMP) of a norbornene end-capped diimide, bis-NAD, obtained as the condensation product of radic anhydride with 4,4'-methylenedianiline. The density of the material was varied in the range of 0.13-0.66 g cm(-3) by varying the concentration of bis-NAD in the sol. Wet gels experience significant shrinkage, relative to their molds (28%-39% in linear dimensions), but the final aerogels retain high porosities (50%-90% v/v), high surface areas (210-632 m(2) g(-1), of which up to 25% is traced to micropores), and pore size distributions in the mesoporous range (20-33 nm). The skeletal framework consists of primary particles 16-17 nm in diameter, assembling to form secondary aggregates (by SANS and SEM) 60-85 nm in diameter. At lower densities (e.g., 0.26 g cm(-3)), secondary particles are mass fractals (D-m = 2.34 +/- 0.03) turning to closed-packed surface fractal objects (D-S = 3.0) as the bulk density increases (>= 0.34 g cm(-3)), suggesting a change in the network-forming mechanism from diffusion-limited aggregation of primary particles to a space-filling bond percolation model. The new materials combine facile one-step synthesis with heat resistance up to 200 C, high mechanical compressive strength and specific energy absorption (168 MPa and 50J g(-1), respectively, at 0,39 g cm(-3) and 88% ultimate strain), low speed of sound (351 m s(-1) at 0.39 g cm(-3)) and styrofoam-like thermal conductivity (0.031 W m(-1) K-1 at 0.34 g cm(-3) and 25 degrees C); hence, they are reasonable multifunctional candidate materials for further exploration as thermal/acoustic insulation at elevated temperatures.

  DOI：

  10.1021/cm200323e
• 作为产物：
  描述：

  二聚环戊二烯 以 N-甲基吡咯烷酮 、 乙酸乙酯 为溶剂， 反应 24.33h， 生成 3-[[4-[[4-[(3-carboxybicyclo[2.2.1]hept-5-ene-2-carbonyl)amino]phenyl]methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
  参考文献：
  名称：

  Polyimide Aerogels by Ring-Opening Metathesis Polymerization (ROMP)

  摘要：

  Polyimide aerogel monoliths are prepared by ring-opening metathesis polymerization (ROMP) of a norbornene end-capped diimide, bis-NAD, obtained as the condensation product of radic anhydride with 4,4'-methylenedianiline. The density of the material was varied in the range of 0.13-0.66 g cm(-3) by varying the concentration of bis-NAD in the sol. Wet gels experience significant shrinkage, relative to their molds (28%-39% in linear dimensions), but the final aerogels retain high porosities (50%-90% v/v), high surface areas (210-632 m(2) g(-1), of which up to 25% is traced to micropores), and pore size distributions in the mesoporous range (20-33 nm). The skeletal framework consists of primary particles 16-17 nm in diameter, assembling to form secondary aggregates (by SANS and SEM) 60-85 nm in diameter. At lower densities (e.g., 0.26 g cm(-3)), secondary particles are mass fractals (D-m = 2.34 +/- 0.03) turning to closed-packed surface fractal objects (D-S = 3.0) as the bulk density increases (>= 0.34 g cm(-3)), suggesting a change in the network-forming mechanism from diffusion-limited aggregation of primary particles to a space-filling bond percolation model. The new materials combine facile one-step synthesis with heat resistance up to 200 C, high mechanical compressive strength and specific energy absorption (168 MPa and 50J g(-1), respectively, at 0,39 g cm(-3) and 88% ultimate strain), low speed of sound (351 m s(-1) at 0.39 g cm(-3)) and styrofoam-like thermal conductivity (0.031 W m(-1) K-1 at 0.34 g cm(-3) and 25 degrees C); hence, they are reasonable multifunctional candidate materials for further exploration as thermal/acoustic insulation at elevated temperatures.

  DOI：

  10.1021/cm200323e

文献信息

• SOLNTSEV A. P.; NEZHVITSKAYA G. B.; VOLOZHIN A. I.; PAUSHKIN YA. M., VESTSI BSSR, CEP. XIM. N., IZV. AN BSSR, CEP. XIM. N. <IANV-R5>, 1975, HO+
  作者：SOLNTSEV A. P.、 NEZHVITSKAYA G. B.、 VOLOZHIN A. I.、 PAUSHKIN YA. M.

  DOI：——

  日期：——