bis (4-[1,3]-dioxolan-2-yl-phenyl) diazine | 562814-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: bis (4-[1,3]-dioxolan-2-yl-phenyl) diazine
• 英文别名: (Z)-bis-(4-[1,3]-dioxolan-2-yl-phenyl)diazine；(E)-1,2-Bis[4-(1,3-dioxolan-2-yl)phenyl]diazene；bis[4-(1,3-dioxolan-2-yl)phenyl]diazene
• CAS: 562814-29-3
• 化学式: C₁₈H₁₈N₂O₄
• 分子量: 326.352
• InChiKey: NIYUAXXLRSARKX-UHFFFAOYSA-N

物化性质

• 沸点：
  505.8±50.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis (4-[1,3]-dioxolan-2-yl-phenyl) diazine 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (E)-4,4'-(二氮烯-1,2-二基)二苯甲醛
  参考文献：
  名称：

  Benzoxazole derivatives for the prophylaxis and treatment of inflammatory bowel diseases

  摘要：

  本发明涉及通过给予有效剂量的新化合物进行预防和治疗炎症性肠病（IBD），这些化合物以适当的药物剂量给药，这些化合物本身具有活性或者可以在大肠中释放药物的活性形式，如5-氨基水杨酸（5ASA）或苯并噁唑乙酸或血小板活化因子。释放机制基于细菌在哺乳动物下肠中裂解偶氮键来释放活性化合物。

  公开号：

  EP1688413A1
• 作为产物：
  描述：

  2-(4-硝基苯基)-1,3-二氧戊环 在 sodium tetrahydroborate 、 水 作用下， 以 二甲基亚砜 为溶剂， 反应 1.75h， 生成 bis (4-[1,3]-dioxolan-2-yl-phenyl) diazine
  参考文献：
  名称：

  Benzoxazole derivatives for the prophylaxis and treatment of inflammatory bowel diseases

  摘要：

  本发明涉及通过给予有效剂量的新化合物进行预防和治疗炎症性肠病（IBD），这些化合物以适当的药物剂量给药，这些化合物本身具有活性或者可以在大肠中释放药物的活性形式，如5-氨基水杨酸（5ASA）或苯并噁唑乙酸或血小板活化因子。释放机制基于细菌在哺乳动物下肠中裂解偶氮键来释放活性化合物。

  公开号：

  EP1688413A1

文献信息

• Benzoxazole derivatives for the prophylaxis and treatment of inflammatory bowel diseases
  申请人：Hikma Pharmaceuticals Co. Ltd.

  公开号：EP1688413A1

  公开（公告）日：2006-08-09

  The present invention relates to novel compounds for the prophylaxis and treatment of inflammatory bowel disease (IBD) via the administration of an effective amount in a suitable pharmaceutical dosage of agents that are active by themselves or can deliver tin the large intestine active forms of the drugs such as 5ASA or benzoxazole acetic acid or platelet activating factors. The mechanism of the release is based on bacterial cleavage of an azo linkage in the mammalian lower bowel to release the active compound(s).

  本发明涉及通过给予有效剂量的新化合物进行预防和治疗炎症性肠病（IBD），这些化合物以适当的药物剂量给药，这些化合物本身具有活性或者可以在大肠中释放药物的活性形式，如5-氨基水杨酸（5ASA）或苯并噁唑乙酸或血小板活化因子。释放机制基于细菌在哺乳动物下肠中裂解偶氮键来释放活性化合物。
• Novel compounds for the prophylaxis and treatment of inflammatory bowel diseases
  申请人：Jilani Jamal

  公开号：US20070043003A1

  公开（公告）日：2007-02-22

  Novel compounds are disclosed for the prophylaxis and treatment of inflammatory bowel disease (IBD) via the administration of an effective amount in a suitable pharmaceutical dosage of agents that are active by themselves or can deliver tin the large intestine active forms of the drugs such as 5ASA or benzoxazole acetic acid or platelet activating factors. The mechanism of the release is based on bacterial cleavage of an azo linkage in the mammalian lower bowel to release the active compound(s).

  揭示了用于预防和治疗炎症性肠病（IBD）的新化合物，通过在适当的药物剂量中给予能够自身活跃或能够在大肠中释放药物的活性形式的药剂，如5-氨基水杨酸（5ASA）或苯并噁唑乙酸或血小板活化因子。释放机制基于细菌在哺乳动物下肠中裂解偶氮键以释放活性化合物。
• Cage structure helps to improve the photoisomerization efficiency of azobenzene
  作者：Tao Yuan、Zhi-Qiang Wang、Xue-Qing Gong、Qiaochun Wang

  DOI：10.1016/j.tetlet.2020.152626

  日期：2020.12

  Azobenzene (Azo) usually cannot achieve relatively high photoisomerization efficiency because of the overlap of the n-pi* absorption bands between their isomers. In this work, three Azo units were integrated into a cage (AC) and adopt a nonplanar configuration. The distortion of the Azo units in AC results in the reduction of the n-pi* band overlap, and consequently increases the full E -> Z and Z -> E photo-conversions to 87% and 85%, respectively, which are even higher than those of the planar parent azobenzene ADA (85% of E -> Z and 76% of Z -> E). Further theoretical calculations demonstrate that the n-pi* excitation energy gap between the two AC isomers is larger than that of ADA, which further supports the reduction of the n-pi* overlap. This AC shows the highest E <-> Z photoisomerization efficiency among the symmetrical organic covalent cages yet reported. (C) 2020 Elsevier Ltd. All rights reserved.