3-nitrophthalic acid di-n-propyl ester | 13325-35-4

• 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-nitrophthalic acid di-n-propyl ester
• 英文别名: dipropyl 3-nitrobenzene-1,2-dicarboxylate
• CAS: 13325-35-4
• 化学式: C₁₄H₁₇NO₆
• 分子量: 295.292
• InChiKey: OGEYTWNNUYDQSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙醇 、 3-硝基邻苯二甲酸 在 硫酸 作用下， 反应 15.0h， 以96%的产率得到3-nitrophthalic acid di-n-propyl ester
  参考文献：
  名称：

  Volatility of some aromatic nitrosubstituted plasticizers for polymers

  摘要：

  Nine derivatives of nitrophthalic acids and nitrophenols were synthesized as potential plasticizers for polymers and structurally characterized by H-1 NMR and elemental analysis. The time dependences of the weight loss for the nitro derivatives synthesized and for commercial plasticizers (dibutyl phthalate and dioctyl phthalate) were obtained by gravimetric method at 100AC, and their volatilities and dipole moments were calculated. The resultant nitroplasticizers are considerably less volatile than dibutyl phthalate. Low volatility is associated not so much with high molecular weight as with high polarity. The nitroplasticizers are well compatible with cellulose esters and exhibit low rates of migration from polymer films.

  DOI：

  10.1134/s1070363217090456