β-alanine (9-methoxy-(5,6)-benzocoumarin-1-yl)methyl ester hydrobromide | 1293992-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: β-alanine (9-methoxy-(5,6)-benzocoumarin-1-yl)methyl ester hydrobromide
• CAS: 1293992-23-0
• 化学式: BrH*C₁₈H₁₇NO₅
• 分子量: 408.249
• InChiKey: QKUDACUKPYYPOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  91.76
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  β-alanine (9-methoxy-(5,6)-benzocoumarin-1-yl)methyl ester hydrobromide 以 乙腈 为溶剂， 反应 5.1h， 生成 β-丙氨酸
  参考文献：
  名称：

  Phototriggering of neuroactive amino acids from 5,6-benzocoumarinyl conjugates

  摘要：

  Uncaging of several neuroactive amino acids, namely beta-alanine, tyrosine, 3,4-dihydroxyphenylalanine (DOPA) and glutamic acid from the corresponding 5,6-benzocoumarinyl conjugates was carried out by irradiation at different wavelengths and in different solvent systems. The release of the various amino acids was faster in ACN/HEPES buffer mixtures and for the tyrosine conjugate, an increase in the photolysis reaction rates and the quantitative uncaging of the amino acid was associated with increasing water content in the solvent mixture. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.090
• 作为产物：
  描述：

  N-(benzyloxycarbonyl)-β-alanine (9-methoxy-3-oxo-3H-benzo[f]benzopyran-1-yl)methyl ester 在 氢溴酸 、 溶剂黄146 作用下， 反应 96.0h， 以98%的产率得到β-alanine (9-methoxy-(5,6)-benzocoumarin-1-yl)methyl ester hydrobromide
  参考文献：
  名称：

  Phototriggering of neuroactive amino acids from 5,6-benzocoumarinyl conjugates

  摘要：

  Uncaging of several neuroactive amino acids, namely beta-alanine, tyrosine, 3,4-dihydroxyphenylalanine (DOPA) and glutamic acid from the corresponding 5,6-benzocoumarinyl conjugates was carried out by irradiation at different wavelengths and in different solvent systems. The release of the various amino acids was faster in ACN/HEPES buffer mixtures and for the tyrosine conjugate, an increase in the photolysis reaction rates and the quantitative uncaging of the amino acid was associated with increasing water content in the solvent mixture. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.090