dimethyl 4,4'-[2,10-(8,16-dihydro-8,16-dioxodibenzo[a,j]perylene)bis(oxy)]bisbutanoate | 243670-13-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: dimethyl 4,4'-[2,10-(8,16-dihydro-8,16-dioxodibenzo[a,j]perylene)bis(oxy)]bisbutanoate
• 英文别名: Methyl 4-[[19-(4-methoxy-4-oxobutoxy)-9,22-dioxo-6-heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaenyl]oxy]butanoate
• CAS: 243670-13-5
• 化学式: C₃₈H₃₀O₈
• 分子量: 614.651
• InChiKey: AIRCRFCEBPYGAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  dimethyl 4,4'-[2,10-(8,16-dihydro-8,16-dioxodibenzo[a,j]perylene)bis(oxy)]bisbutanoate 在 sodium hydroxide 作用下， 以90%的产率得到4,4′-[（8,16-二氢-8,16-二氧二苯并[a，j]苝-2,10-二基）二氧基]二丁酸
  参考文献：
  名称：

  Far-Red Dibenzo[a,j]Perylene-8,16-Dione Dyes as Fluorescent Enzyme Substrates and Tags for Biomolecules

  摘要：

  The synthesis of fluorescent 2,10-derivatives of the title chromophore are described. The substituents contain amino-reactive N-hydroxysuccinimde eater and thiol-reactive iodoacetamide groups for attachment to biomolecules. A phosphate derivative was also prepared as an enzyme substrate.

  DOI：

  10.1080/00397910008087092
• 作为产物：
  描述：

  2,10-dimethoxydibenzo[a,j]perylene-8,16-dione 在 三氯化铝 、 sodium methylate 、 三氯氧磷 作用下， 以 吡啶 、 甲醇 、 苯 为溶剂， 反应 22.0h， 生成 dimethyl 4,4'-[2,10-(8,16-dihydro-8,16-dioxodibenzo[a,j]perylene)bis(oxy)]bisbutanoate
  参考文献：
  名称：

  Far-Red Dibenzo[a,j]Perylene-8,16-Dione Dyes as Fluorescent Enzyme Substrates and Tags for Biomolecules

  摘要：

  The synthesis of fluorescent 2,10-derivatives of the title chromophore are described. The substituents contain amino-reactive N-hydroxysuccinimde eater and thiol-reactive iodoacetamide groups for attachment to biomolecules. A phosphate derivative was also prepared as an enzyme substrate.

  DOI：

  10.1080/00397910008087092

文献信息

• Far-Red Dibenzo[<i>a,j</i>]Perylene-8,16-Dione Dyes as Fluorescent Enzyme Substrates and Tags for Biomolecules
  作者：Leslie W. Deady、Andrew B. Hughes、Indumathy B. Mahadevan、Nurul H. Quazi、Leann M. Tilley

  DOI：10.1080/00397910008087092

  日期：2000.3

  The synthesis of fluorescent 2,10-derivatives of the title chromophore are described. The substituents contain amino-reactive N-hydroxysuccinimde eater and thiol-reactive iodoacetamide groups for attachment to biomolecules. A phosphate derivative was also prepared as an enzyme substrate.