dibutyl 4-methylphenethylphosphonate

• 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: dibutyl 4-methylphenethylphosphonate
• 英文别名: 1-[2-[Dibutoxy(oxido)phosphaniumyl]ethyl]-4-methylbenzene；1-[2-[dibutoxy(oxido)phosphaniumyl]ethyl]-4-methylbenzene
• 化学式: C₁₇H₂₉O₃P
• 分子量: 312.389
• InChiKey: ONFTZGKZUIQBOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  41.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  亚磷酸二丁酯 、 Alpha-甲基苯乙烯 在 palladium diacetate 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.03h， 生成 、 dibutyl 4-methylphenethylphosphonate
  参考文献：
  名称：

  钯催化链烷烃与膦酸二烷基酯的羰基化羰基化反应

  摘要：

  AbstractThe palladium‐catalyzed hydrophosphonylation of alkenes with previously unreactive acyclic dialkyl H‐phosphonates has been developed. A catalyst system based on palladium/DavePhos or palladium/SPhos enables the transformation of various alkenes to phosphonates in moderate to good yields and with excellent levels of regioselectivity. Hydrophosphonylations with internal, disubstituted and/or unactivated alkenes are also reported.magnified image

  DOI：

  10.1002/adsc.201400190

文献信息

• Palladium-Catalyzed Hydrophosphonylation of Alkenes with Dialkyl H-Phosphonates
  作者：Mathieu Candy、Sophie A. L. Rousseaux、Alberto Cirugeda San Román、Monika Szymczyk、Pawel Kafarski、Eric Leclerc、Emmanuel Vrancken、Jean-Marc Campagne

  DOI：10.1002/adsc.201400190

  日期：2014.8.11

  AbstractThe palladium‐catalyzed hydrophosphonylation of alkenes with previously unreactive acyclic dialkyl H‐phosphonates has been developed. A catalyst system based on palladium/DavePhos or palladium/SPhos enables the transformation of various alkenes to phosphonates in moderate to good yields and with excellent levels of regioselectivity. Hydrophosphonylations with internal, disubstituted and/or unactivated alkenes are also reported.magnified image