3-[(3-Nitrophenyl)-tributylphosphaniumylmethyl]-2-oxochromen-4-olate | 1369321-40-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-[(3-Nitrophenyl)-tributylphosphaniumylmethyl]-2-oxochromen-4-olate
• 英文别名: 3-[(3-nitrophenyl)-tributylphosphaniumylmethyl]-2-oxochromen-4-olate
• CAS: 1369321-40-3
• 化学式: C₂₈H₃₆NO₅P
• 分子量: 497.571
• InChiKey: ITTPCMOEMPFVMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[(3-Nitrophenyl)-tributylphosphaniumylmethyl]-2-oxochromen-4-olate 、 异丁酰氯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以76%的产率得到
  参考文献：
  名称：

  Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins

  摘要：

  A general preparation of new types of highly functional phosphorus zwitterions is realized via tandem three-component reactions using the corresponding functional alkanes, aldehydes, and Bu3P. Starting from our novel zwitterions as synthetic reagents with commercially available acid chlorides in a one-step procedure provides an attractive approach toward furo[3,2-c]coumarins.

  DOI：

  10.1021/ol3005479
• 作为产物：
  描述：

  4-羟基香豆素 、 三丁基膦 、 间硝基苯甲醛 在 四氢吡咯 、 苯甲酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以91%的产率得到3-[(3-Nitrophenyl)-tributylphosphaniumylmethyl]-2-oxochromen-4-olate
  参考文献：
  名称：

  Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins

  摘要：

  A general preparation of new types of highly functional phosphorus zwitterions is realized via tandem three-component reactions using the corresponding functional alkanes, aldehydes, and Bu3P. Starting from our novel zwitterions as synthetic reagents with commercially available acid chlorides in a one-step procedure provides an attractive approach toward furo[3,2-c]coumarins.

  DOI：

  10.1021/ol3005479

文献信息

• Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-<i>c</i>]coumarins
  作者：Chia-Jui Lee、Yeong-Jiunn Jang、Zong-Ze Wu、Wenwei Lin

  DOI：10.1021/ol3005479

  日期：2012.4.6

  A general preparation of new types of highly functional phosphorus zwitterions is realized via tandem three-component reactions using the corresponding functional alkanes, aldehydes, and Bu3P. Starting from our novel zwitterions as synthetic reagents with commercially available acid chlorides in a one-step procedure provides an attractive approach toward furo[3,2-c]coumarins.