Diethyl-(3-brom-4.5-dihydroxy)-benzylacetamidomalonat | 52783-77-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Diethyl-(3-brom-4.5-dihydroxy)-benzylacetamidomalonat
• CAS: 52783-77-4
• 化学式: C₁₆H₂₀BrNO₇
• 分子量: 418.241
• InChiKey: HRQWMIGYXYOFGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  122.16
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Diethyl-(3-brom-4.5-dihydroxy)-benzylacetamidomalonat 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 生成 2-Amino-3-(3-bromo-4,5-dihydroxy-phenyl)-propionic acid
  参考文献：
  名称：

  Brominated phenylalanines

  摘要：

  Abstract(3‐(3‐Bromo‐4‐hydroxy‐S‐methoxy‐phenyl)alanine (Ie) exerts a long‐acting antihypertensive effect in rats and dogs : its synthesis and its optical resolution have already appeared in the literature. 1 Ten new mono‐ and polybrominated phenylalanines with hydroxy‐ and/or methoxy‐groups are here described. These unnatural amino‐acide were synthesized by direct bromination, or via the acetamidomalonic esters (V), or via the azlactones (VI) and the corresponding phenylpyruvic acids (VIII).

  DOI：

  10.1002/bscb.19740830304
• 作为产物：
  描述：

  α-<3-Brom-4-hydroxy-5-methoxy-benzyl>-α-acetamido-malonsaeurediethylester 在 吡啶 、 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 Diethyl-(3-brom-4.5-dihydroxy)-benzylacetamidomalonat
  参考文献：
  名称：

  Brominated phenylalanines

  摘要：

  Abstract(3‐(3‐Bromo‐4‐hydroxy‐S‐methoxy‐phenyl)alanine (Ie) exerts a long‐acting antihypertensive effect in rats and dogs : its synthesis and its optical resolution have already appeared in the literature. 1 Ten new mono‐ and polybrominated phenylalanines with hydroxy‐ and/or methoxy‐groups are here described. These unnatural amino‐acide were synthesized by direct bromination, or via the acetamidomalonic esters (V), or via the azlactones (VI) and the corresponding phenylpyruvic acids (VIII).

  DOI：

  10.1002/bscb.19740830304