2,6-diethyl-1,3,5,7-tetramethyl-8-(3-pyridyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | 1434003-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-diethyl-1,3,5,7-tetramethyl-8-(3-pyridyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
• 英文别名: 2,8-Diethyl-5,5-difluoro-1,3,7,9-tetramethyl-10-(3-pyridyl)-5H-dipyrrolo[1,2-c:2 inverted exclamation mark,1 inverted exclamation mark-f][1,3,2]diazaborinin-4-ium-5-uide；5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-pyridin-3-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
• CAS: 1434003-36-7
• 化学式: C₂₂H₂₆BF₂N₃
• 分子量: 381.276
• InChiKey: BJIYUWFKNXGZTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  3-吡啶甲醛 在 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 2,6-diethyl-4,4-difluoro-1,3,5,7-tetramethyl-8H-4-bora-3a,4a-diaza-s-indacene 、 2,6-diethyl-1,3,5,7-tetramethyl-8-(3-pyridyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
  参考文献：
  名称：

  Synthesis and photo-physical properties of a series of BODIPY dyes

  摘要：

  A series of 39 boron-dipyrrolylmethenes (BODIPYs) have been synthesized and characterized. Their spectroscopic properties, degree of lipophilicity, chemical stability under irradiation, and singlet-oxygen generation rate have also been studied. These compounds differ in the presence of ethyl groups (group A), hydrogens (group B) or iodines (group C) on the 2,6 positions; these appendices confer particular characteristics to each group. The presence of an aromatic substituent or hydrogen on the indacene 8 position produces 13 different molecules of each group. Besides the effects exerted by the group or atom on the 2,6 positions, the substituent on the 8 position exerts a further effect on the physico-chemical parameters, thus the desired properties of BODIPYs, concerning fluorescence, lipophilicity, and singlet oxygen production can be modulated accordingly. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.064