7-amino-1,3-dimethyl-2,4-dioxo-5-(4-trifluoromethylphenyl)-1,3,4,5-tetrahydro-2H-pyrano [2,3-d]pyrimidine-6-carbonitrile | 1445831-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃嘧啶类
• 英文名称: 7-amino-1,3-dimethyl-2,4-dioxo-5-(4-trifluoromethylphenyl)-1,3,4,5-tetrahydro-2H-pyrano [2,3-d]pyrimidine-6-carbonitrile
• 英文别名: 7-amino-1,3-dimethyl-2,4-dioxo-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
• CAS: 1445831-79-7
• 化学式: C₁₇H₁₃F₃N₄O₃
• 分子量: 378.31
• InChiKey: JAMKPRZEALFTOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  99.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对三氟甲基苯甲醛 、 1,3-二甲基巴比妥酸 、 丙二腈 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 水 为溶剂， 反应 0.17h， 以80%的产率得到7-amino-1,3-dimethyl-2,4-dioxo-5-(4-trifluoromethylphenyl)-1,3,4,5-tetrahydro-2H-pyrano [2,3-d]pyrimidine-6-carbonitrile
  参考文献：
  名称：

  1,8-二氮杂双环[5.4.0]十一月-7-烯：一种高效的催化剂，可在其中进行取代的四氢-4H-苯甲基，四氢[b]吡喃，吡喃并[d]嘧啶和4H-吡喃的一锅法合成水性介质

  摘要：

  我们已经报道了1,8-二氮杂双环[5.4.0]十一碳-7烯从醛催化一锅合成四氢-4 H-苯甲基，四氢[ b ]吡喃，吡喃并[ d ]嘧啶和4 H-吡喃。活性亚甲基化合物丙二腈/氰基乙酸乙酯和活化的C-H酸，如二甲酮，1,3-环己二酮，1,3-环戊烷二酮，1,3-二甲基巴比妥酸和乙酰乙酸乙酯在水中回流。该方法的吸引人的特征是温和的反应条件，反应介质的可重​​复使用性，较短的反应时间，易于分离的产物以及优异的产率。版权所有©2013 HeteroCorporation

  DOI：

  10.1002/jhet.1507

文献信息

• Meglumine: A Novel and Efficient Catalyst for One-Pot, Three-Component Combinatorial Synthesis of Functionalized 2-Amino-4<i>H</i>-pyrans
  作者：Rui-Yun Guo、Zhi-Min An、Li-Ping Mo、Rui-Zhi Wang、Hong-Xia Liu、Shu-Xia Wang、Zhan-Hui Zhang

  DOI：10.1021/co400107j

  日期：2013.11.11

  An efficient one-pot synthesis of functionalized 2-amino-4H-pyrans by a meglumine-catalyzed three-component reaction has been developed. A broad range of substrates including aromatic and heteroaromatic aldehydes, isatin derivatives, and acenaphthenequinone are condensed with enolizable C-H activated compounds and alkylmalonates to give the desired products in high to excellent yields. This methodology provides an alternative approach for rapid access to construct a diversity-oriented library of 4H-pyrans.
• Nickel Nanoparticles as Semiheterogeneous Catalyst for One-Pot, Three-Component Synthesis of 2-Amino-4<i>H</i>-pyrans and Pyran Annulated Heterocyclic Moieties
  作者：Jitender M. Khurana、Kanika Vij

  DOI：10.1080/00397911.2012.700474

  日期：2013.9.2

  An efficient route for the synthesis of 2-amino-4H-pyrans and pyran annulated heterocyclic moieties has been reported via one-pot tandem Knoevenagel-cyclocondensation of aldehydes, malononitrile, and carbocyclic/heterocyclic 1,3-diones in the presence of stabilized nickel nanoparticles in ethylene glycol at room temperature. A wide range of aromatic aldehydes undergo the condensation readily to afford the pharmacologically important compounds in excellent yields. Bis-pyranization has been observed in the reactions of terephthaldehyde. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.
• INTRODUCING AN EFFECTIVE NANOCATALYTIC FOR THE ONE-POT SYNTHESIS AND INVESTIGATION OF BIOLOGICAL PROPERTIES OF PYRANOPYRIMIDINONE AND XANTHENE DERIVATIVES
  作者：A. Amininia、K. Pourshamsian、B. Sadeghi

  DOI：10.4067/s0717-97072019000404633

  日期：——