tert-butyl 1-(2-cyanoethyl)-3,4-dimethyl-5-phenyl-1H-phosphole-2-carboxylate | 1020076-57-6

• 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: tert-butyl 1-(2-cyanoethyl)-3,4-dimethyl-5-phenyl-1H-phosphole-2-carboxylate
• 英文别名: Tert-butyl 1-(2-cyanoethyl)-3,4-dimethyl-5-phenylphosphole-2-carboxylate；tert-butyl 1-(2-cyanoethyl)-3,4-dimethyl-5-phenylphosphole-2-carboxylate
• CAS: 1020076-57-6
• 化学式: C₂₀H₂₄NO₂P
• 分子量: 341.39
• InChiKey: OQXIDRGVUOJMHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 1-(2-cyanoethyl)-3,4-dimethyl-5-phenyl-1H-phosphole-2-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以100%的产率得到1-(2-cyanoethyl)-3,4-dimethyl-5-phenyl-1H-phosphole-2-carboxylic acid
  参考文献：
  名称：

  The microwave-assisted synthesis of a 2-carboxyphosphole

  摘要：

  Using a one-pot four-step reaction a readily available phospholide was converted efficiently to a 2-carboxyphosphole. This compound can be used as a building block for the synthesis of phosphole-containing peptides, where the phosphole can serve as a coordination site for late transition metals and may affect the secondary structure of the peptide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.075
• 作为产物：
  描述：

  、 3-溴丙腈 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 tert-butyl 1-(2-cyanoethyl)-3,4-dimethyl-5-phenyl-1H-phosphole-2-carboxylate
  参考文献：
  名称：

  The microwave-assisted synthesis of a 2-carboxyphosphole

  摘要：

  Using a one-pot four-step reaction a readily available phospholide was converted efficiently to a 2-carboxyphosphole. This compound can be used as a building block for the synthesis of phosphole-containing peptides, where the phosphole can serve as a coordination site for late transition metals and may affect the secondary structure of the peptide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.075

文献信息

• The microwave-assisted synthesis of a 2-carboxyphosphole
  作者：Steven van Zutphen、Guilhem Mora、Vicente J. Margarit、Xavier F. Le Goff、Duncan Carmichael、Pascal Le Floch

  DOI：10.1016/j.tetlet.2008.01.075

  日期：2008.3

  Using a one-pot four-step reaction a readily available phospholide was converted efficiently to a 2-carboxyphosphole. This compound can be used as a building block for the synthesis of phosphole-containing peptides, where the phosphole can serve as a coordination site for late transition metals and may affect the secondary structure of the peptide. (c) 2008 Elsevier Ltd. All rights reserved.