3-(2,7-Dichloro-3-hydroxy-6-oxoxanthen-9-yl)-9,10-diphenylanthracene-2-carboxylic acid | 245122-43-4

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 3-(2,7-Dichloro-3-hydroxy-6-oxoxanthen-9-yl)-9,10-diphenylanthracene-2-carboxylic acid
• CAS: 245122-43-4
• 化学式: C₄₀H₂₂Cl₂O₅
• 分子量: 653.518
• InChiKey: BVTFQYAMUAZLCH-UHFFFAOYSA-N

物化性质

• 沸点：
  834.4±65.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  47
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2,7-Dichloro-3-hydroxy-6-oxoxanthen-9-yl)-9,10-diphenylanthracene-2-carboxylic acid 在 双氧水 、 molybdenum(VI) ion 作用下， 以 水 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Novel Fluorescent Probes for Singlet Oxygen

  摘要：

  The first fluorescent chemical traps for (1)O(2) have been developed. DPAXs react specifically with (1)O(2) to yield the corresponding endoperoxides, DPAX-EPs (see scheme; X = H, Cl, F). DPAXs scarcely fluoresce, while DPAX-EPs are strongly fluorescent. Since the fluorescence of these probes is unaffected by H(2)O(2), superoxide, and nitric oxide, they are useful for the selective detection of (1)O(2) in biological systems.

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2899::aid-anie2899>3.0.co;2-m
• 作为产物：
  描述：

  9,10-diphenyl-2,3-dimethoxycarbonyl anthracene 在 氢氧化钾 、 甲烷磺酸 、 乙酸酐 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 3-(2,7-Dichloro-3-hydroxy-6-oxoxanthen-9-yl)-9,10-diphenylanthracene-2-carboxylic acid
  参考文献：
  名称：

  Novel Fluorescent Probes for Singlet Oxygen

  摘要：

  The first fluorescent chemical traps for (1)O(2) have been developed. DPAXs react specifically with (1)O(2) to yield the corresponding endoperoxides, DPAX-EPs (see scheme; X = H, Cl, F). DPAXs scarcely fluoresce, while DPAX-EPs are strongly fluorescent. Since the fluorescence of these probes is unaffected by H(2)O(2), superoxide, and nitric oxide, they are useful for the selective detection of (1)O(2) in biological systems.

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2899::aid-anie2899>3.0.co;2-m

文献信息

• Novel Fluorescent Probes for Singlet Oxygen
  作者：Naoki Umezawa、Kumi Tanaka、Yasuteru Urano、Kazuya Kikuchi、Tsunehiko Higuchi、Tetsuo Nagano

  DOI：10.1002/(sici)1521-3773(19991004)38:19<2899::aid-anie2899>3.0.co;2-m

  日期：1999.10.4

  The first fluorescent chemical traps for (1)O(2) have been developed. DPAXs react specifically with (1)O(2) to yield the corresponding endoperoxides, DPAX-EPs (see scheme; X = H, Cl, F). DPAXs scarcely fluoresce, while DPAX-EPs are strongly fluorescent. Since the fluorescence of these probes is unaffected by H(2)O(2), superoxide, and nitric oxide, they are useful for the selective detection of (1)O(2) in biological systems.