1-(5-carboxy-X-rhodaminyl)-4-(4-methylbenzoyl)piperazine | 960215-37-6

• 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: 1-(5-carboxy-X-rhodaminyl)-4-(4-methylbenzoyl)piperazine
• 英文别名: 5-[4-(4-Methylbenzoyl)piperazine-1-carbonyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
• CAS: 960215-37-6
• 化学式: C₄₅H₄₄N₄O₅
• 分子量: 720.868
• InChiKey: AQXYGYOUBGZMIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  54
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  96.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (4-甲基苯基)(1-哌嗪基)甲酮盐酸盐(1:1) 、 5-羧基-X-罗丹明琥珀酰亚胺酯(单一化合物) 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 0.08h， 以4.6 mg的产率得到1-(5-carboxy-X-rhodaminyl)-4-(4-methylbenzoyl)piperazine
  参考文献：
  名称：

  Synthesis of 5- and 6-Carboxy-X-rhodamines

  摘要：

  An efficient route is reported to 5- and 6-carboxy-X-rhodamines (compounds 1 and 2) that contain multiple n-propylene or gamma,gamma-dimethylpropylene groups bridging terminal nitrogen atoms and the central xanthene core. Gram quantities of these dyes are synthesized from inexpensive starting materials. The isolated products are activated by selective transformation of the carboxylic acid group into N-hydroxysuccinimidyl esters in situ and then conjugated with an amino group of a molecule of interest.

  DOI：

  10.1021/ol801904k

文献信息

• Synthesis of 5- and 6-Carboxy-X-rhodamines
  作者：Md. Jashim Uddin、Lawrence J. Marnett

  DOI：10.1021/ol801904k

  日期：2008.11.6

  An efficient route is reported to 5- and 6-carboxy-X-rhodamines (compounds 1 and 2) that contain multiple n-propylene or gamma,gamma-dimethylpropylene groups bridging terminal nitrogen atoms and the central xanthene core. Gram quantities of these dyes are synthesized from inexpensive starting materials. The isolated products are activated by selective transformation of the carboxylic acid group into N-hydroxysuccinimidyl esters in situ and then conjugated with an amino group of a molecule of interest.