4-methyl-2,2-bis(nitromethyl)pentane | 198993-11-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 4-methyl-2,2-bis(nitromethyl)pentane
• 英文别名: 2,4-dimethyl-1-nitro-2-(nitromethyl)pentane
• CAS: 198993-11-2
• 化学式: C₈H₁₆N₂O₄
• 分子量: 204.226
• InChiKey: FGUVIFDLUZHXTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methyl-2,2-bis(nitromethyl)pentane 、 3-bromolevoglucosenone 在 二环己烷并-18-冠醚-6 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 (1S,2R,3S,4S,8R)-4-methyl-4-isobutyl-3-nitro-9,11-dioxatricyclo[6.2.1.02,6]undec-5-en-7-one 、 (1S,2R,3S,4R,8R)-4-methyl-4-isobutyl-3-nitro-9,11-dioxatricyclo[6.2.1.02,6]undec-5-en-7-one
  参考文献：
  名称：

  Reaction of α-bromolevoglucosenone with 2,2-disubstituted 1,3-dinitropropanes

  摘要：

  2,2-Bis(nitromethyl)decane and 4-methyl-2,2-bis(nitromethyl)pentane reacted with alpha-bromolevoglucosenone in the presence of a base under ultrasonic treatment to give the corresponding cyclopenta-fused derivatives. Analogous reactions of 1,1-bis(nitromethyl)cycloalkanes with alpha-bromolevoglucosenone afforded spiro compounds.

  DOI：

  10.1134/s1070428012030219
• 作为产物：
  描述：

  硝基甲烷 、 4-甲基-2-戊酮 在 二乙胺 作用下， 生成 4-methyl-2,2-bis(nitromethyl)pentane
  参考文献：
  名称：

  Reaction of α-bromolevoglucosenone with 2,2-disubstituted 1,3-dinitropropanes

  摘要：

  2,2-Bis(nitromethyl)decane and 4-methyl-2,2-bis(nitromethyl)pentane reacted with alpha-bromolevoglucosenone in the presence of a base under ultrasonic treatment to give the corresponding cyclopenta-fused derivatives. Analogous reactions of 1,1-bis(nitromethyl)cycloalkanes with alpha-bromolevoglucosenone afforded spiro compounds.

  DOI：

  10.1134/s1070428012030219

文献信息

• Reaction of α-bromolevoglucosenone with 2,2-disubstituted 1,3-dinitropropanes
  作者：L. Kh. Faizullina、M. M. Iskakova、A. A. Pershin、Sh. M. Salikhov、M. G. Safarov、F. A. Valeev

  DOI：10.1134/s1070428012030219

  日期：2012.3

  2,2-Bis(nitromethyl)decane and 4-methyl-2,2-bis(nitromethyl)pentane reacted with alpha-bromolevoglucosenone in the presence of a base under ultrasonic treatment to give the corresponding cyclopenta-fused derivatives. Analogous reactions of 1,1-bis(nitromethyl)cycloalkanes with alpha-bromolevoglucosenone afforded spiro compounds.