naphthofluorescein methyl ester | 1380077-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: naphthofluorescein methyl ester
• 英文别名: methyl 2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)benzoate；Methyl 2-(7-hydroxy-19-oxo-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,7,10,13,15,17,20-decaen-13-yl)benzoate；methyl 2-(7-hydroxy-19-oxo-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,7,10,13,15,17,20-decaen-13-yl)benzoate
• CAS: 1380077-15-5
• 化学式: C₂₉H₁₈O₅
• 分子量: 446.459
• InChiKey: DTVBZZAGOLQHIY-UHFFFAOYSA-N

物化性质

• 沸点：
  782.2±60.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲醇 、 2-(11-羟基-3-氧代-3H-二苯并[c,h]氧杂蒽-7-基)苯甲酸 在 硫酸 作用下， 反应 24.0h， 以50%的产率得到naphthofluorescein methyl ester
  参考文献：
  名称：

  Field Effects Induce Bathochromic Shifts in Xanthene Dyes

  摘要：

  There is ongoing interest in near-infrared (NIR) absorbing and emitting dyes for a variety of biomedical and materials applications. Simple and efficient synthetic procedures enable the judicious tuning of through-space polar (field) effects as well as low barrier hydrogen bonding to modulate the HOMO-LUMO gap in xanthene dyes. This affords unique NIR-absorbing xanthene chromophores.

  DOI：

  10.1021/ja302445w

文献信息

• ANALYTE DETECTION USING NEAR-INFRARED FLUOROPHORES
  申请人：Portland State University

  公开号：US20160223558A1

  公开（公告）日：2016-08-04

  Embodiments of compounds for selectively detecting an analyte are disclosed, along with methods and kits for detecting analytes with the compounds. The compounds are bridged viologen conjugates including at least one fluorophore according to the general structure At least one of R 1 /R 2 , R 2 /R 3 , R 3 /R 4 , R 5 /R 6 , R 6 /R 7 , and/or R 7 /R 8 together form a substituted or unsubstituted cycloalkyl or aryl.

  公开了用于选择性检测分析物的化合物实施例，以及使用这些化合物检测分析物的方法和试剂盒。这些化合物是包括至少一种荧光团的桥联紫罗兰类化合物，其一般结构如下：至少有R1/R2、R2/R3、R3/R4、R5/R6、R6/R7和/或R7/R8中的至少一对形成取代或未取代的环烷基或芳基。
• Near-infrared fluorescent dyes with large stokes shifts
  申请人：Strongin Robert Michael

  公开号：US09250246B2

  公开（公告）日：2016-02-02

  Embodiments of near-infrared (NIR) dyes are disclosed, along with methods and kits for detecting analytes with the NIR dyes. The NIR dyes have a structure according to the general structure At least one of R1/R2, R2/R3, R3/R4, R5/R6, R6/R7, and/or R7/R8 together forms a substituted or unsubstituted cycloalkyl or aryl.

  公开了近红外（NIR）染料的实施例，以及使用这些NIR染料检测分析物的方法和试剂盒。NIR染料具有符合一般结构的结构。R1/R2、R2/R3、R3/R4、R5/R6、R6/R7和/或R7/R8中的至少一个共同形成取代或未取代的环烷基或芳基。
• Field Effects Induce Bathochromic Shifts in Xanthene Dyes
  作者：Martha Sibrian-Vazquez、Jorge O. Escobedo、Mark Lowry、Frank R. Fronczek、Robert M. Strongin

  DOI：10.1021/ja302445w

  日期：2012.6.27

  There is ongoing interest in near-infrared (NIR) absorbing and emitting dyes for a variety of biomedical and materials applications. Simple and efficient synthetic procedures enable the judicious tuning of through-space polar (field) effects as well as low barrier hydrogen bonding to modulate the HOMO-LUMO gap in xanthene dyes. This affords unique NIR-absorbing xanthene chromophores.