4-bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,4-dimethoxybenzyl)benzamide | 1374349-64-0

• 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: 4-bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,4-dimethoxybenzyl)benzamide
• CAS: 1374349-64-0
• 化学式: C₂₉H₃₁BrN₂O₅
• 分子量: 567.48
• InChiKey: LNGBBPZEQWKSAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  37.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  84.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,4-dimethoxybenzyl)benzamide 在 盐酸肼 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 0.33h， 生成 C₁₆H₁₂BrN₃O₂
  参考文献：
  名称：

  Hydrazine-mediated cyclization of Ugi products to synthesize novel 3-hydroxypyrazoles

  摘要：

  This report discloses a novel concise synthesis of a series of 3-hydroxypyrazoles 5 via a tandem Ugi/debenzylation /hydrazine-mediated cyclization sequence. Herein, n-butyl isocyanide 4b was utilized as an alternative to classical convertible isocyanides enabling high yielding hydrazine-mediated cyclization. Taken together, a novel class of 3-hydroxypyrazoles 5a-5i was synthesized with a potential to be of interest in future library enrichment strategies. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.033
• 作为产物：
  描述：

  异腈基正丁烷 、 苯基丙醇水合物 、 4-溴苯甲酸 、 2,4-二甲氧基苯甲胺 以 甲醇 为溶剂， 以57%的产率得到4-bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,4-dimethoxybenzyl)benzamide
  参考文献：
  名称：

  Hydrazine-mediated cyclization of Ugi products to synthesize novel 3-hydroxypyrazoles

  摘要：

  This report discloses a novel concise synthesis of a series of 3-hydroxypyrazoles 5 via a tandem Ugi/debenzylation /hydrazine-mediated cyclization sequence. Herein, n-butyl isocyanide 4b was utilized as an alternative to classical convertible isocyanides enabling high yielding hydrazine-mediated cyclization. Taken together, a novel class of 3-hydroxypyrazoles 5a-5i was synthesized with a potential to be of interest in future library enrichment strategies. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.033