2,2'-(4,6-diamino-m-phenylene)-bis-propan-2-ol | 36884-23-8

• 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: 2,2'-(4,6-diamino-m-phenylene)-bis-propan-2-ol
• 英文别名: 2-[2,4-Diamino-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
• CAS: 36884-23-8
• 化学式: C₁₂H₂₀N₂O₂
• 分子量: 224.303
• InChiKey: KUXJWEPMADSNJR-UHFFFAOYSA-N

物化性质

• 沸点：
  422.2±45.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.5
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-(4,6-diamino-m-phenylene)-bis-propan-2-ol 在 silica gel 作用下， 以 正戊烷 为溶剂， 反应 10.0h， 生成 Methyl 2-[2-(2-methoxy-2-oxoethyl)-2,4,4,6,6,8-hexamethyl-1,9-dihydro-[1,3]oxazino[5,4-g][3,1]benzoxazin-8-yl]acetate
  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：

  4,6-二氨基-1,3-苯二羧酸二甲酯 、 甲基溴化镁 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 生成 2,2'-(4,6-diamino-m-phenylene)-bis-propan-2-ol
  参考文献：
  名称：

  Conformationally Constrained, Stable, Triplet Ground State (S = 1) Nitroxide Diradicals. Antiferromagnetic Chains of S = 1 Diradicals

  摘要：

  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.

  DOI：

  10.1021/ja0712017

文献信息

• Rassat,A.; Sieveking,H.U., Angewandte Chemie, 1972, vol. 84, p. 353 - 354
  作者：Rassat,A.、Sieveking,H.U.

  DOI：——

  日期：——
• LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME
  申请人：CHI MEI CORPORATION

  公开号：US20170029703A1

  公开（公告）日：2017-02-02

  The present invention relates to a liquid crystal alignment agent, a liquid crystal alignment film and a liquid crystal display element. The liquid crystal alignment agent includes a polymer composition (A) synthesized by tetracarboxylic dianhydride compound (a) and diamine compound (b), and a solvent (B). The diamine compound (b) includes diamine (b-1) shown as following formula (I) and diamine (b-2): in formula (I), R 1 represents a linear or branched alkyl of 1 to 6 carbons, a linear or branched hydroxyl alkyl of 1 to 6 carbons, an alkoxy of 1 to 6 carbons, an alkylthio of 1 to 6 carbons, a halogen atom, an amino group or a nitro group; R 2 represents a methylene group, a divalent alkyl of 2 to 10 carbons, a divalent alkenyl of 2 to 7 carbons or a divalent alkynyl of 2 to 6 carbons; and a represents an integer of 0 to 3.
• PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, ELECTRONIC DEVICE, ACTIVE-LIGHT-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM AND MASK BLANK
  申请人：FUJIFILM Corporation

  公开号：US20170121437A1

  公开（公告）日：2017-05-04

  A pattern forming method includes forming a film using an actinic ray-sensitive or radiation-sensitive resin composition, exposing the film with active light or radiation, and developing the exposed film using a developer including an organic solvent, in which the actinic ray-sensitive or radiation-sensitive resin composition contains a compound having a partial structure represented by General Formula (I).
• US9976088B2
  申请人：——

  公开号：US9976088B2

  公开（公告）日：2018-05-22
• 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.