5,5-dibutyltetrahydro-2(1H)-pyrimidinone | 136866-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,5-dibutyltetrahydro-2(1H)-pyrimidinone
• 英文别名: 5,5-Dibutyl-1,3-diazinan-2-one
• CAS: 136866-89-2
• 化学式: C₁₂H₂₄N₂O
• 分子量: 212.335
• InChiKey: FRBUHXDRQRNNGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 5,5-dibutyltetrahydro-2(1H)-pyrimidinone 以 四氢呋喃 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  通过分子间氢键相互作用在锌 (II) 中观-中观连接的卟啉低聚物中螺旋性诱导和双光子吸收增强

  摘要：

  通过氢键主客体与环状尿素的相互作用，已在中观-中观连接的低聚物中诱导螺旋性。由此形成的螺旋卟啉阵列表现出手性放大和增强的双光子吸收特性。

  DOI：

  10.1021/ja043428x
• 作为产物：
  描述：

  2,2-dibutylmalononitrile 在 lithium aluminium tetrahydride 作用下， 生成 5,5-dibutyltetrahydro-2(1H)-pyrimidinone
  参考文献：
  名称：

  Three complexing agents for ureas and formamides

  摘要：

  Three cleft type hydrogen bonding receptors were prepared, with slightly different geometries due to the presence of either methylene, oxygen, or sulfur. All three are able to complex urea, one with the methylene group being the best suited. Benzyl formamide, probably due to its smaller cleft, is better associated to the oxygen compound.

  DOI：

  10.1016/s0040-4039(00)79900-x

文献信息

• Three complexing agents for ureas and formamides
  作者：Mercedes Crego、J.José Marugán、César Raposo、Ma José Sanz、Victoria Alcázar、Ma Cruz Caballero、Joaquín R. Morán

  DOI：10.1016/s0040-4039(00)79900-x

  日期：1991.8

  Three cleft type hydrogen bonding receptors were prepared, with slightly different geometries due to the presence of either methylene, oxygen, or sulfur. All three are able to complex urea, one with the methylene group being the best suited. Benzyl formamide, probably due to its smaller cleft, is better associated to the oxygen compound.
• Catalytic Oxidative Carbonylation of Primary and Secondary Diamines to Cyclic Ureas. Optimization and Substituent Studies
  作者：Fang Qian、Jennifer E. McCusker、Yue Zhang、A. Denise Main、Mary Chlebowski、Michiyo Kokka、Lisa McElwee-White

  DOI：10.1021/jo0109319

  日期：2002.6.1

  W(CO)(6)-catalyzed oxidative carbonylation of 1,3-propanediamine to the corresponding urea has been examined under a variety of conditions. Following optimization, the Thorpe-Ingold effect on ring closure was studied using 2,2-dialkyl-1,3-propanediamines. For the 2,2-dimethyl- and 2,2-dibutyl-1,3-propanediamines, the yields were increased significantly as compared to that of the unsubstituted case. The eight-membered cyclic urea 5-butyl-5-ethyl-1,3-diazepan-2-one (5f) was formed in 38% yield, while only trace amounts of the cyclic urea were produced from the parent 1,5-pentanediamine. In a study of secondary diamines, yields from the carbonylation of N,N'-dialkyl-2,2-dimethyl-1,3-propanediamines were lower than those obtained from the primary diamines. The main byproducts from secondary diamines were tetrahydropyrimidine derivatives formed from a competitive reaction of the substrate with the oxidant and base.
• Helicity Induction and Two-Photon Absorbance Enhancement in Zinc(II) Meso−Meso Linked Porphyrin Oligomers via Intermolecular Hydrogen Bonding Interactions
  作者：Chusaku Ikeda、Zin Seok Yoon、Mira Park、Hidenari Inoue、Dongho Kim、Atsuhiro Osuka

  DOI：10.1021/ja043428x

  日期：2005.1.1

  Helicity has been induced in meso-meso linked oligomers by hydrogen bonding host-guest interactions with cyclic urea. Helical porphyrin arrays thus formed exhibit chirality amplification and enhanced two-photon absorption properties.

  通过氢键主客体与环状尿素的相互作用，已在中观-中观连接的低聚物中诱导螺旋性。由此形成的螺旋卟啉阵列表现出手性放大和增强的双光子吸收特性。