4-(4-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-chromene-3-carbonitrile | 1415028-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-chromene-3-carbonitrile
• 英文别名: 2-amino-4-[4-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
• CAS: 1415028-93-1
• 化学式: C₂₇H₂₄ClN₅O₃
• 分子量: 501.972
• InChiKey: OZXDDVGQTLRGTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-叠氮-4-氯苯 、 4-(丙-2-炔-1-基氧基)苯甲醛 、 5,5-二甲基-1,3-环己二酮 、 丙二腈 在 diammonium hydrogenphosphate 、 copper diacetate 、 sodium ascorbate 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以74%的产率得到4-(4-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-chromene-3-carbonitrile
  参考文献：
  名称：

  Efficient One-Pot, Four-Component Synthesis of 1,2,3-Triazole-Linked Tetrahydrobenzo[b]pyrans

  摘要：

  A one-pot procedure has been developed for the synthesis of (1,2,3-triazolyl) methoxyphenyl tetrahydro-5-oxo-4H-chromene derivatives by concurrent reaction of aryloxy propargylated aldehydes, various azides, active methylene compounds, and 1,3-cyclohexanediones using catalytic amounts of Cu(OAc)(2) / sodium ascorbate and diammonium hydrogen phosphate in aqueous ethanol media. Excellent conversion of starting materials was achieved to the desired (1,2,3-triazolyl) methoxyphenyl tetrahydro-5-oxo-4H-chromene products.

  DOI：

  10.1080/00397911.2011.602813

文献信息

• Efficient One-Pot, Four-Component Synthesis of 1,2,3-Triazole-Linked Tetrahydrobenzo[<i>b</i>]pyrans
  作者：David I. MaGee、Peyman Salehi、Minoo Dabiri、Mahboobeh Bahramnejad

  DOI：10.1080/00397911.2011.602813

  日期：2013.1.1

  A one-pot procedure has been developed for the synthesis of (1,2,3-triazolyl) methoxyphenyl tetrahydro-5-oxo-4H-chromene derivatives by concurrent reaction of aryloxy propargylated aldehydes, various azides, active methylene compounds, and 1,3-cyclohexanediones using catalytic amounts of Cu(OAc)(2) / sodium ascorbate and diammonium hydrogen phosphate in aqueous ethanol media. Excellent conversion of starting materials was achieved to the desired (1,2,3-triazolyl) methoxyphenyl tetrahydro-5-oxo-4H-chromene products.