4-(1-(4-(trifluoromethyl)phenyl)ethyl)-3,6-dihydro-2H-pyran | 1386393-73-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(1-(4-(trifluoromethyl)phenyl)ethyl)-3,6-dihydro-2H-pyran
• 英文别名: 4-[1-[4-(trifluoromethyl)phenyl]ethyl]-3,6-dihydro-2H-pyran
• CAS: 1386393-73-2
• 化学式: C₁₄H₁₅F₃O
• 分子量: 256.268
• InChiKey: IGHFTGDSYUSYRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙烯 、 3,6-dihydro-2H-pyran-4-yl perfluorobutane-1-sulfonate 、 4-三氟甲基苯硼酸 在 tris-(dibenzylideneacetone)dipalladium(0) 、 碳酸氢钠 、 二苄叉丙酮 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 55.0 ℃ 、103.42 kPa 条件下， 反应 16.0h， 生成 4-ethylidene-3-(4-(trifluoromethyl)phenyl)tetrahydro-2H-pyran 、 4-(1-(4-(trifluoromethyl)phenyl)ethyl)-3,6-dihydro-2H-pyran
  参考文献：
  名称：

  Palladium-Catalyzed 1,1-Difunctionalization of Ethylene

  摘要：

  The 1,1-difunctionalization of ethylene, with aryl/vinyl/heteroaryl transmetalating agents and vinyl electrophiles, is reported. The reaction is high-yielding under a low pressure of ethylene, and regioselectivity is generally high for the 1,1-disubstituted product. The process is highlighted by the use of heteroaromatic cross-coupling reagents, which have not been competent reaction partners in previously reported efforts.

  DOI：

  10.1021/ja304344h

文献信息

• Palladium-Catalyzed 1,1-Difunctionalization of Ethylene
  作者：Vaneet Saini、Matthew S. Sigman

  DOI：10.1021/ja304344h

  日期：2012.7.18

  The 1,1-difunctionalization of ethylene, with aryl/vinyl/heteroaryl transmetalating agents and vinyl electrophiles, is reported. The reaction is high-yielding under a low pressure of ethylene, and regioselectivity is generally high for the 1,1-disubstituted product. The process is highlighted by the use of heteroaromatic cross-coupling reagents, which have not been competent reaction partners in previously reported efforts.