3,3-dimethyl-4-oxopentane-1,1,2,2-tetracarbonitrile | 1427071-81-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-dimethyl-4-oxopentane-1,1,2,2-tetracarbonitrile
• 英文别名: 1-Cyano-1-(dicyanomethyl)-2,2-dimethyl-3-oxobutyl cyanide
• CAS: 1427071-81-5
• 化学式: C₁₁H₁₀N₄O
• mdl: MFCD26098471
• 分子量: 214.227
• InChiKey: ALZJFTIQQQPFAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-4-oxopentane-1,1,2,2-tetracarbonitrile 在 水 、 sodium hydroxide 作用下， 以 水 为溶剂， 以82%的产率得到8-Amino-3-hydroxy-3,4,4-trimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
  参考文献：
  名称：

  Domino synthesis of 3-amino-8-hydroxy-1,6-dioxo-2,7-diazaspiro[4.4]non-3-ene-4-carbonitriles

  摘要：

  The domino reactions of 4-oxoalkane-1,1,2,2-tetracarbonitriles with water afford 3-amino-8-hydroxy-1,6-dioxo-2,7-diazaspiro[4.4]non-3-ene-4-carbonitriles in good yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.043

文献信息

• Three-component synthesis of 2-halo-6-methoxy-5,6-dihydropyridine-3,4,4(1H)-tricarbonitriles
  作者：K. V. Lipin、O. V. Ershov

  DOI：10.1134/s1070428017110288

  日期：2017.11

  One-stage preparation method of 2-halo-6-methoxy-5,6-dihydropyridine-3,4,4(1H)-tricarbonitriles was developed, consisting in the reaction of 3,3-dialkyl-4-oxoalcane-1,1,2,2-tetracarbonitriles with hydrohalic acids in methanol.
• Selective quasi-hydrolysis of cyano group in 6-hydroxypiperidine-3,4,4-tricarbonitriles
  作者：K. V. Lipin、S. V. Fedoseev、O. V. Ershov、V. A. Tafeenko

  DOI：10.1134/s1070428017120077

  日期：2017.12

  Reactions of 3,3-dialkyl-4-oxoalkane-1,1,2,2-tetracarbonitriles with water in the presence of pyruvic acid are accompanied by selective quasi-hydrolysis of cyano groups in intermediate 6-hydroxy-piperidine-3,4,4-tricarbonitriles.
• Directed synthesis of alkyl-substitued pyrrolo[3,4-c]pyrrole-1,3,4,6-tetraones
  作者：S. V. Fedoseev、O. V. Ershov、M. Y. Belikov、K. V. Lipin、O. E. Nasakin、V. A. Tafeenko

  DOI：10.1134/s107042801311016x

  日期：2013.11

  Reactions of 3-amino-8-hydroxy-1,6-dioxo-2,7-diazaspiro[4.4]non-3-ene-4-carbonitriles with aqueous hydrohalic acid led to the formation of alkyl-substituted pyrrolo[3,4-c]-pyrrole-1,3,4,6-tetraones.
• Synthesis of 5-oxoalkane-2,2,3,3-tetracarbonitriles
  作者：S. V. Fedoseev、O. V. Ershov、M. Yu. Belikov、V. A. Tafeenko、O. E. Nasakin、V. P. Sheverdov

  DOI：10.1134/s1070428015070076

  日期：2015.7

  5-Oxoalkane-2,2,3,3-tetracarbonitriles have been synthesized by reaction of 4-oxoalkane-1,1,2,2-tetracarbonitriles with methyl iodide in dimethyl sulfoxide.
• Domino synthesis of 3-amino-8-hydroxy-1,6-dioxo-2,7-diazaspiro[4.4]non-3-ene-4-carbonitriles
  作者：Sergey V. Fedoseev、Oleg V. Ershov、Mikhail Yu. Belikov、Konstantin V. Lipin、Ivan N. Bardasov、Oleg E. Nasakin、Viktor A. Tafeenko

  DOI：10.1016/j.tetlet.2013.02.043

  日期：2013.4

  The domino reactions of 4-oxoalkane-1,1,2,2-tetracarbonitriles with water afford 3-amino-8-hydroxy-1,6-dioxo-2,7-diazaspiro[4.4]non-3-ene-4-carbonitriles in good yields. (C) 2013 Elsevier Ltd. All rights reserved.