4,6-二氨基-1,3-苯二羧酸二甲酯 | 15403-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4,6-二氨基-1,3-苯二羧酸二甲酯
• 英文名称: dimethyl 4,6-diaminoisophthalate
• 英文别名: 4,6-diamino-isophthalic acid dimethyl ester；4,6-Diamino-isophthalsaeure-dimethylester；4,6-Diaminoisophthalsaeuredimethylester；Dimethyl 4,6-diaminobenzene-1,3-dicarboxylate
• CAS: 15403-48-2
• 化学式: C₁₀H₁₂N₂O₄
• 分子量: 224.216
• InChiKey: VCBGZHVAASNVQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  4,6-二氨基-1,3-苯二羧酸二甲酯 在 silica gel 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 0.5h， 生成 4,4,6,6-Tetradodecyl-2,2,8,8-tetramethyl-1,9-dihydro-[1,3]oxazino[5,4-g][3,1]benzoxazine
  参考文献：
  名称：

  硅胶催化高效合成三环苯并二恶嗪

  摘要：

  报道了一种新的合成三环苯并双恶嗪的方法，该方法基于硅胶催化的两个3,1-恶嗪环的形成。形成恶嗪环的缩合反应的可逆性允许在苯并双恶嗪中进行硅胶催化的酮交换，因此能够获得苯并双恶嗪的非对称衍生物。

  DOI：

  10.1021/jo062670e
• 作为产物：
  描述：

  N,N'-(4,6-dimethyl-m-phenylene)-bis-acetamide 在 盐酸 、 potassium permanganate 作用下， 生成 4,6-二氨基-1,3-苯二羧酸二甲酯
  参考文献：
  名称：

  Bogert; Kropff, Journal of the American Chemical Society, 1909, vol. 31, p. 847

  摘要：

  DOI：

文献信息

• Conformationally Constrained, Stable, Triplet Ground State (<i>S</i> = 1) Nitroxide Diradicals. Antiferromagnetic Chains of <i>S</i> = 1 Diradicals
  作者：Andrzej Rajca、Masahiro Takahashi、Maren Pink、Gaëlle Spagnol、Suchada Rajca

  DOI：10.1021/ja0712017

  日期：2007.8.1

  Nitroxide diradicals, in which nitroxides are annelated to m-phenylene forming tricyclic benzobisoxazine-like structures, have been synthesized and characterized by X-ray crystallography, magnetic resonance (EPR and H-1 NMR) spectroscopy, as well as magnetic studies in solution and in solid state. For the octamethyl derivative of benzobisoxazine nitroxide diradical, the conformationally constrained nitroxide moieties are coplanar with the m-phenylene, leading to large values of 2J (2J/k > 200 K in solution and 2J/k > 300 K in the solid state). For the diradical, in which all ortho and para positions of the m-phenylene are sterically shielded, distortion of the nitroxide moieties from coplanarity is moderate, such that the singlet-triplet gaps remain large in both solution (2J/k > 200 K) and the solid state (2J/k approximate to 400-800 K), though an onset of thermal depopulation of the triplet ground state is detectable near room temperature. These diradicals have robust triplet ground states with strong ferromagnetic coupling and good stability at ambient conditions. Magnetic behavior of the nitroxide diradicals at low temperature is best fit to the model of one-dimensional S = 1 Heisenberg chains with intrachain antiferromagnetic coupling. The antiferromagnetic coupling between the S = 1 diradicals may be associated with the methyl nitroxide C-H- - -O contacts, including nonclassical hydrogen bonds. These unprecedented organic S = 1 antiferromagnetic chains are highly isotropic, compared to those of the extensively studied Ni(II)-based chains.
• EP1056974A4
  申请人：——

  公开号：EP1056974A4

  公开（公告）日：2001-05-02
• LIGHT POLARIZING MATERIALS, LIQUID SUSPENSIONS AND FILMS THEREOF, AND LIGHT VALVES INCORPORATING SAME
  申请人：RESEARCH FRONTIERS INCORPORATED

  公开号：EP1056974A1

  公开（公告）日：2000-12-06
• Light polarising particles, and liquid suspensions and light valves comprising same
  申请人：RESEARCH FRONTIERS INCORPORATED

  公开号：EP1056974B1

  公开（公告）日：2006-05-03
• US6156239A
  申请人：——

  公开号：US6156239A

  公开（公告）日：2000-12-05