3-[4-(5,11-Diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenoxy]propan-1-ol | 1282621-06-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[4-(5,11-Diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenoxy]propan-1-ol
• CAS: 1282621-06-0
• 化学式: C₂₆H₃₃BF₂N₂O₂
• 分子量: 454.368
• InChiKey: KZCRYEBQGCOAAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[4-(5,11-Diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenoxy]propan-1-ol 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 3-[4-(5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenoxy]propyl N-[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl]carbamate
  参考文献：
  名称：

  4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene as a Bright Fluorescent Label for DNA

  摘要：

  4,4-Difluono-4-bora-3a,4a-diaza-s-indacene (BODIPY) as a fluorescent label can be incorporated into DNA by two conceptually different ways: the non-nucleosidic DNA base surrogate Bo exhibits high brightness but no preferential basepairing properties, whereas the BODIPY-mofidined uridine BodU has reduced quantum yields but shows preferred Watson-Crick base pairing with adenine.

  DOI：

  10.1021/jo102519k
• 作为产物：
  描述：

  4-(3-羟基丙氧基)苯甲醛 在 四氯苯醌 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 生成 3-[4-(5,11-Diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenoxy]propan-1-ol
  参考文献：
  名称：

  4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene as a Bright Fluorescent Label for DNA

  摘要：

  4,4-Difluono-4-bora-3a,4a-diaza-s-indacene (BODIPY) as a fluorescent label can be incorporated into DNA by two conceptually different ways: the non-nucleosidic DNA base surrogate Bo exhibits high brightness but no preferential basepairing properties, whereas the BODIPY-mofidined uridine BodU has reduced quantum yields but shows preferred Watson-Crick base pairing with adenine.

  DOI：

  10.1021/jo102519k

文献信息

• 4,4-Difluoro-4-bora-3a,4a-diaza-<i>s</i>-indacene as a Bright Fluorescent Label for DNA
  作者：Thomas Ehrenschwender、Hans-Achim Wagenknecht

  DOI：10.1021/jo102519k

  日期：2011.4.1

  4,4-Difluono-4-bora-3a,4a-diaza-s-indacene (BODIPY) as a fluorescent label can be incorporated into DNA by two conceptually different ways: the non-nucleosidic DNA base surrogate Bo exhibits high brightness but no preferential basepairing properties, whereas the BODIPY-mofidined uridine BodU has reduced quantum yields but shows preferred Watson-Crick base pairing with adenine.