3-phenyl-1-(tri-n-butylstannyl)propyl 4-(trifluoromethyl)benzoate | 1260153-19-2

• 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: 3-phenyl-1-(tri-n-butylstannyl)propyl 4-(trifluoromethyl)benzoate
• 英文别名: (3-Phenyl-1-tributylstannylpropyl) 4-(trifluoromethyl)benzoate
• CAS: 1260153-19-2
• 化学式: C₂₉H₄₁F₃O₂Sn
• 分子量: 597.349
• InChiKey: WFOQFUWQVMLTQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.25
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-phenyl-1-(tri-n-butylstannyl)propyl 4-(trifluoromethyl)benzoate 、 1-(4-喹啉基)甲胺 在 1,2-二(二苯基膦基)乙烷二氯化钯(II) 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以61%的产率得到1-(6-oxocyclohex-1-en-1-yl)-3-phenylpropyl 4-(trifluoromethyl)benzoate
  参考文献：
  名称：

  Pd-catalyzed Cross-Coupling of α-(Acyloxy)-tri-n-butylstannanes with Alkenyl, Aryl, and Heteroaryl Electrophiles

  摘要：

  Racemic and scalemic alpha-(acyloxy)-tri-n-butylstannanes undergo Pd-catalyzed cross-couplings with alkenyl/aryl/heteroaryl iodides, bromides, and triflates in moderate to good yields in THF at 45 degrees C. Simple aryl iodides and unprotected aza-arenes, two classes of electrophiles that typically react sluggishly, are also good substrates. Cross-couplings proceed with retention of configuration at the alkenyl and stannyl-substituted stereocenters.

  DOI：

  10.1021/ol102863u

文献信息

• Pd-catalyzed Cross-Coupling of α-(Acyloxy)-tri-<i>n</i>-butylstannanes with Alkenyl, Aryl, and Heteroaryl Electrophiles
  作者：Mohan Goli、Anyu He、J. R. Falck

  DOI：10.1021/ol102863u

  日期：2011.1.21

  Racemic and scalemic alpha-(acyloxy)-tri-n-butylstannanes undergo Pd-catalyzed cross-couplings with alkenyl/aryl/heteroaryl iodides, bromides, and triflates in moderate to good yields in THF at 45 degrees C. Simple aryl iodides and unprotected aza-arenes, two classes of electrophiles that typically react sluggishly, are also good substrates. Cross-couplings proceed with retention of configuration at the alkenyl and stannyl-substituted stereocenters.