(5-Me-pyridin-2-yl)2CH(CH(2,4-Me2C6H3)2) | 1005189-82-1

• 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: (5-Me-pyridin-2-yl)2CH(CH(2,4-Me2C6H3)2)
• 英文别名: (5-Me-py)2CH(CH(m-xylyl)2)；2-[2,2-Bis(2,4-dimethylphenyl)-1-(5-methylpyridin-2-yl)ethyl]-5-methylpyridine；2-[2,2-bis(2,4-dimethylphenyl)-1-(5-methylpyridin-2-yl)ethyl]-5-methylpyridine
• CAS: 1005189-82-1
• 化学式: C₃₀H₃₂N₂
• 分子量: 420.597
• InChiKey: RKNXVPLQPHMWCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chloromethyl(1,5-cyclooctadiene)palladium(II) 、 (5-Me-pyridin-2-yl)2CH(CH(2,4-Me2C6H3)2) 、 正戊烷 以 苯 为溶剂， 以83%的产率得到[(5-Me-pyridin-2-yl)2CH(CH(2,4-Me2C6H3)2)]Pd(Me)Cl*0.03(pentane)
  参考文献：
  名称：

  Ethylene Polymerization by Sterically Crowded Palladium(II) Complexes that Contain Bis(heterocycle)methane Ligands

  摘要：

  The catalytic ethylene polymerization reactions of (N<^>N)PdMe(L)(+) species that contain bulky bis(heterocycle)methane ligands were studied (N<^>N = (1-Me-imidazol-2 -yl)(2)CHCH(P-tolyl)(2) (1i), (Me-imidazol-2-yl)(2)CHC(p-tolyl)(3) (1j), (5-Me-pyridin-2-yl)(2)CHC(P-tOlyl)(2))(3) (1k), (5-Me-pyridin-2yl)(2)CHCH(p-tolyl)(2) (1l), (3-Me-pyridin-2-yl)(2)CHCH(p-tolyl)(2) (1m), (5-Me-pyridin-2-yl)(2)CHCH(m-xylyl)(2) (1n), (3-Me-pyridin-2-yl)(2)CHCH(m-xylyl)(2) (1o), (quinol-2-yl)(2)CHCH(m-xylyl)(2) (1p), and (3-Me-quinol2-yl)(2)CHCH(m-xylyl)(2) (1q). (N<^>N)PdMe2 (2i,j,q) and (N<^>N)Pd(Me)Cl (3m-o) complexes were converted to (N<^>N)Pd{C(=O)Me}CO+ complexes (7i,j,m-o,q). The nu(CO) values for 7i,j,m-o,q show that there is weak back-bonding in these species. Complexes 2i,j and (N<^>N)Pd(Me)Cl complexes 31-o were converted to (N<^>N)Pd(Me)(H2C=CH2)(+) (8i,j,l-o and 8q (not directly observed)). First-order rate constants for ethylene insertion of 8i,j,l-o were determined by NMR. Increasing the electrophilic character and the steric bulk of the (N<^>N)Pd unit increases the rate of ethylene insertion. In-situ-generated 8j,l-n,q produce low molecular weight polyethylene (Mw <= 4200), while 8o produces higher molecular weight polyethylene (M, = 34 000). Polyethylene produced by 8j,l,m contains 100 branches/10(3) C, while that from 8n,o,q contains 60 branches/ 10(3)C.

  DOI：

  10.1021/om700768j

文献信息

• Ethylene Polymerization by Sterically Crowded Palladium(II) Complexes that Contain Bis(heterocycle)methane Ligands
  作者：Christopher T. Burns、Richard F. Jordan

  DOI：10.1021/om700768j

  日期：2007.12.1

  The catalytic ethylene polymerization reactions of (N<^>N)PdMe(L)(+) species that contain bulky bis(heterocycle)methane ligands were studied (N<^>N = (1-Me-imidazol-2 -yl)(2)CHCH(P-tolyl)(2) (1i), (Me-imidazol-2-yl)(2)CHC(p-tolyl)(3) (1j), (5-Me-pyridin-2-yl)(2)CHC(P-tOlyl)(2))(3) (1k), (5-Me-pyridin-2yl)(2)CHCH(p-tolyl)(2) (1l), (3-Me-pyridin-2-yl)(2)CHCH(p-tolyl)(2) (1m), (5-Me-pyridin-2-yl)(2)CHCH(m-xylyl)(2) (1n), (3-Me-pyridin-2-yl)(2)CHCH(m-xylyl)(2) (1o), (quinol-2-yl)(2)CHCH(m-xylyl)(2) (1p), and (3-Me-quinol2-yl)(2)CHCH(m-xylyl)(2) (1q). (N<^>N)PdMe2 (2i,j,q) and (N<^>N)Pd(Me)Cl (3m-o) complexes were converted to (N<^>N)PdC(=O)Me}CO+ complexes (7i,j,m-o,q). The nu(CO) values for 7i,j,m-o,q show that there is weak back-bonding in these species. Complexes 2i,j and (N<^>N)Pd(Me)Cl complexes 31-o were converted to (N<^>N)Pd(Me)(H2C=CH2)(+) (8i,j,l-o and 8q (not directly observed)). First-order rate constants for ethylene insertion of 8i,j,l-o were determined by NMR. Increasing the electrophilic character and the steric bulk of the (N<^>N)Pd unit increases the rate of ethylene insertion. In-situ-generated 8j,l-n,q produce low molecular weight polyethylene (Mw <= 4200), while 8o produces higher molecular weight polyethylene (M, = 34 000). Polyethylene produced by 8j,l,m contains 100 branches/10(3) C, while that from 8n,o,q contains 60 branches/ 10(3)C.