2,3,4,5-Tetrachloro-6-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid | 861605-93-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3,4,5-Tetrachloro-6-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
• CAS: 861605-93-8
• 化学式: C₁₆H₁₁Cl₄NO₄
• 分子量: 423.08
• InChiKey: HAQZGFDEHZPKLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,6-二羟基萘 、 2,3,4,5-Tetrachloro-6-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid 以 甲烷磺酸 为溶剂， 反应 0.17h， 以48%的产率得到4',5',6',7'-tetrachloro-10-dimethylamino-3-hydroxy-spiro[7H-benzo[c]xanthene-7,1'(3'H)-isobenzofuran]-3'-one
  参考文献：
  名称：

  Synthesis and photophysical properties of new SNARF derivatives as dual emission pH sensors

  摘要：

  We report the synthesis and properties of two new seminaphthorhodafluor (SNARF) derivatives, SNARF-F and SNARF-Cl. Both these derivatives exhibit typical red shifts of absorption and fluorescence, and higher cell permeability as compared to traditional SNARF, while the pH-dependent dual-emission characteristics are well retained. In particular, the lower pK(a) (7.38) of SNARF-F makes it more suitable than traditional SNARF derivatives for intracellular applications. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.105
• 作为产物：
  描述：

  四氯苯二甲酸酐 、 3-羟基-N,N-二甲基苯胺 以 甲苯 为溶剂， 反应 52.0h， 以36%的产率得到2,3,4,5-Tetrachloro-6-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
  参考文献：
  名称：

  Synthesis and photophysical properties of new SNARF derivatives as dual emission pH sensors

  摘要：

  We report the synthesis and properties of two new seminaphthorhodafluor (SNARF) derivatives, SNARF-F and SNARF-Cl. Both these derivatives exhibit typical red shifts of absorption and fluorescence, and higher cell permeability as compared to traditional SNARF, while the pH-dependent dual-emission characteristics are well retained. In particular, the lower pK(a) (7.38) of SNARF-F makes it more suitable than traditional SNARF derivatives for intracellular applications. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.105

文献信息

• US3988492A
  申请人：——

  公开号：US3988492A

  公开（公告）日：1976-10-26