1,3-dimesitylhexahydropyrimidine | 690662-87-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-dimesitylhexahydropyrimidine
• 英文别名: 1,3-Bis(2,4,6-trimethylphenyl)-1,3-diazinane
• CAS: 690662-87-4
• 化学式: C₂₂H₃₀N₂
• 分子量: 322.494
• InChiKey: SAUGIFVGNJRDOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-dimesitylhexahydropyrimidine 以 苯 为溶剂， 反应 5.08h， 生成 Ni(1,3-bis(2,4,6-trimethylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)(PPh₃)(C₆H₄F)Br
  参考文献：
  名称：

  Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh₃)₂

  摘要：

  The three-coordinate Ni(0) N-heterocyclic carbene complex Ni(6-Mes)(PPh3)(2) (1; 6-Mes = 1,3-bis(2,4,6-trimethylphen-yl)-3,4,5,6-tetrahydropyrimidin-2-ylidene) is formed in the reaction of Ni(cod)2 with a 1:2 mixture of 6-Mes and PPh3 or upon reduction of Ni(6-Mes)(PPh3)Br (2) with (KOBu)-Bu-t. Facile substitution of PPh3 in 1 gave a range of Ni(6-Mes)(PPh3)(L) products (L = PhGEECMe (3), PhCH=CH2 (4), Ph2CO (5), PhCHO (6)). Oxidative addition of C6F6 gave Ni(6-Mes)(PPh3)(C6F5)F (7), while 1 was also oxidized by 4-BrC6H4F to afford a mixture of 2 and Ni(6-Mes)(PPh3)(C6H4F)Br (8). Surprisingly, 1 was also oxidized upon reaction with the small 5-membered ring NHC IMe4 to give the terminal Ni(II) phosphido complex Ni(IMe4)(2)(PPh2)Ph (9). Compounds 1 and 5 proved to be active as a precursors for the catalytic transfer hydrogenation of ketones.

  DOI：

  10.1021/acs.organomet.7b00129
• 作为产物：
  描述：

  2,4,6-三甲基苯胺 以 甲醇 、 二乙二醇二甲醚 为溶剂， 反应 22.0h， 生成 1,3-dimesitylhexahydropyrimidine
  参考文献：
  名称：

  1,3-二烷基和1,3-二芳基-3,4,5,6-四氢嘧啶-2-亚甲基铑（i）和钯（II）配合物：合成，结构和反应活性。

  摘要：

  描述了新型的1,3-二芳基和1,3-二烷基嘧啶-2-亚烷基的N-杂环卡宾（NHC）及其铑（i）和钯（II）配合物的合成。铑化合物溴（cod）[1,3-双（2-丙基）-3,4,5,6-四氢嘧啶-2-亚基]铑（7），溴（鳕鱼）（1,3-dimesityl-3 ，4,5,6-四氢嘧啶-2-亚基）铑（8）（cod = eta（4）-1,5-环辛二烯，均三= 2,4,6-三甲基苯基），氯（cod）（1,3 -dimesityl-3,4,5,6-四氢嘧啶-2-亚丙基）铑（9）和氯代（cod）[1,3-双（2-丙基）-3,4,5,6-四氢嘧啶-2 -[Yh（cod）Cl]（2）]与叔丁醇锂反应，然后加入1,3-二甲硅烷基-1,3,4,5,6-四氢嘧啶溴化铵（10）制备亚吡啶基铑（10） 3），1,3-二甲磺酰基-1,3,4,5,6-四氢嘧啶四氟硼酸酯（4），1,3-二-2-丙基-3,4,5,6-四氢嘧啶溴化铵（6），和分别为1

  DOI：

  10.1002/chem.200305437

文献信息

• 1,3-Dialkyl- and 1,3-Diaryl-3,4,5,6-tetrahydropyrimidin-2-ylidene Rhodium(i) and Palladium(II) Complexes: Synthesis, Structure, and Reactivity
  作者：Monika Mayr、Klaus Wurst、Karl-Hans Ongania、Michael R. Buchmeiser

  DOI：10.1002/chem.200305437

  日期：2004.3.5

  respectively. Complex 7 crystallizes in the monoclinic space group P2(1)/n, and 8 in the monoclinic space group P2(1). Complexes 9 and 10 were used for the synthesis of the corresponding dicarbonyl complexes dicarbonylchloro(1,3-dimesityl-3,4,5,6-tetrahydropyrimidin-2-ylidene)rhodium (11), and dicarbonylchloro[1,3-bis(2-propyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene]rhodium (12). The wavenumbers nu(CO I)/nu(CO

  描述了新型的1,3-二芳基和1,3-二烷基嘧啶-2-亚烷基的N-杂环卡宾（NHC）及其铑（i）和钯（II）配合物的合成。铑化合物溴（cod）[1,3-双（2-丙基）-3,4,5,6-四氢嘧啶-2-亚基]铑（7），溴（鳕鱼）（1,3-dimesityl-3 ，4,5,6-四氢嘧啶-2-亚基）铑（8）（cod = eta（4）-1,5-环辛二烯，均三= 2,4,6-三甲基苯基），氯（cod）（1,3 -dimesityl-3,4,5,6-四氢嘧啶-2-亚丙基）铑（9）和氯代（cod）[1,3-双（2-丙基）-3,4,5,6-四氢嘧啶-2 -[Yh（cod）Cl]（2）]与叔丁醇锂反应，然后加入1,3-二甲硅烷基-1,3,4,5,6-四氢嘧啶溴化铵（10）制备亚吡啶基铑（10） 3），1,3-二甲磺酰基-1,3,4,5,6-四氢嘧啶四氟硼酸酯（4），1,3-二-2-丙基-3,4,5,6-四氢嘧啶溴化铵（6），和分别为1
• CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS
  申请人：Trustees of Boston College

  公开号：US20140371454A1

  公开（公告）日：2014-12-18

  The present application provides, among other things, compounds and methods for metathesis reactions. In some embodiments, provided compounds promote highly efficient and highly Z-selective metathesis. In some embodiments, provided compounds and methods are particularly useful for producing allyl alcohols. In some embodiments, provided compounds have the structure of formula I. In some embodiments, provided compounds comprise ruthenium, and a ligand bonded to ruthenium through a sulfur atom.

  本申请提供了化合物和用于交换反应的方法，其中所提供的化合物在某些实施方式中促进高效和高度Z-选择性的交换反应。在某些实施方式中，所提供的化合物和方法特别适用于生产烯丙醇。在某些实施方式中，所提供的化合物具有式I的结构。在某些实施方式中，所提供的化合物包含钌，并且与钌通过硫原子结合的配体。
• Ruthenium complexes, process for preparation thereof, and processes for producing open-ring polymer of cycloolefins and hydrogenation products thereof by using the complex as catalyst
  申请人：Sakamoto Masato

  公开号：US20050014916A1

  公开（公告）日：2005-01-20

  The present invention relates to ruthenium complex compound wherein a heteroatom-containing carbene compound having a six-membered ring structure is bonded to ruthenium and a process for the preparation thereof; a process for producing ring-opened cyclic olefin polymer by subjecting a cyclic olefin to ring-opening metathesis polymerization in the presence of such a ruthenium complex compound; and a process for producing hydrogenated product of ring-opened cyclic olefin polymers by hydrogenating the carbon-carbon double bonds of the above ring-opened polymers. The invention gives hydrogenated product of ring-opened cyclic olefin polymers having physical properties different from those of hydrogenated product of ring-opened polymers of the prior art. Particularly, the use of dicyclopentadiene can give a hydrogenated product of ring-opened cyclic olefin polymer excellent in heat resistance, and this product can be advantageously used as parts or formed products for medical appliances or electrical components.

  本发明涉及一种钌配合物化合物，其中将具有六元环结构的含杂原子的卡宾化合物与钌结合，以及其制备方法；一种通过在此类钌配合物存在下将环状烯烃经环开环甲硫烯聚合制备环开环环状烯烃聚合物的方法；以及一种通过氢化上述环开环聚合物的碳碳双键制备环开环环状烯烃聚合物的氢化产物的方法。该发明提供了具有与先前技术中环开环聚合物氢化产物不同物理性质的环开环环状烯烃聚合物的氢化产物。特别地，使用二环戊二烯可以得到热性能优异的环开环环状烯烃聚合物的氢化产物，该产品可有利地用作医疗器械或电子元件的零部件或成型产品。
• US9938253B2
  申请人：——

  公开号：US9938253B2

  公开（公告）日：2018-04-10
• Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh₃)₂
  作者：Sara Sabater、Michael J. Page、Mary F. Mahon、Michael K. Whittlesey

  DOI：10.1021/acs.organomet.7b00129

  日期：2017.5.8

  The three-coordinate Ni(0) N-heterocyclic carbene complex Ni(6-Mes)(PPh3)(2) (1; 6-Mes = 1,3-bis(2,4,6-trimethylphen-yl)-3,4,5,6-tetrahydropyrimidin-2-ylidene) is formed in the reaction of Ni(cod)2 with a 1:2 mixture of 6-Mes and PPh3 or upon reduction of Ni(6-Mes)(PPh3)Br (2) with (KOBu)-Bu-t. Facile substitution of PPh3 in 1 gave a range of Ni(6-Mes)(PPh3)(L) products (L = PhGEECMe (3), PhCH=CH2 (4), Ph2CO (5), PhCHO (6)). Oxidative addition of C6F6 gave Ni(6-Mes)(PPh3)(C6F5)F (7), while 1 was also oxidized by 4-BrC6H4F to afford a mixture of 2 and Ni(6-Mes)(PPh3)(C6H4F)Br (8). Surprisingly, 1 was also oxidized upon reaction with the small 5-membered ring NHC IMe4 to give the terminal Ni(II) phosphido complex Ni(IMe4)(2)(PPh2)Ph (9). Compounds 1 and 5 proved to be active as a precursors for the catalytic transfer hydrogenation of ketones.