2-[(3R,4S)-3,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-3,4-dinitrohexyl]-2-methyl-1,3-dioxolane | 250671-19-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(3R,4S)-3,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-3,4-dinitrohexyl]-2-methyl-1,3-dioxolane
• CAS: 250671-19-3
• 化学式: C₁₆H₂₈N₂O₈
• 分子量: 376.407
• InChiKey: GNHAMLJYWUEXGK-OKILXGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[(3R,4S)-3,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-3,4-dinitrohexyl]-2-methyl-1,3-dioxolane 在 盐酸 、 tin 作用下， 以43%的产率得到meso-2,5,2',5'-tetramethyl-3,4,3',4'-tetrahydro-2H,2'H-[2,2']bipyrrolyl-1,1'-dioxide
  参考文献：
  名称：

  Stereochemical reassignment of the isomeric 2,4a,6,8a-tetramethyl-3,4,4a,7,8,8a-hexahydro-〈1,5〉naphthyridine and 2,5,2′,5′-tetramethyl-5,5′-bi-Δ1-pyrrolinyl, and oftheir dioxides

  摘要：

  The stereochemical relationships between the isomeric 5,6-dimethyl-5,6-dinitrodecane-2,9-diones and their reduction products (the: title compounds) have been established. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01465-3
• 作为产物：
  描述：

  2-methyl-2-(3-nitrobutyl)-1,3-dioxolane 在 lithium methanolate 、 碘 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到2-[(3R,4S)-3,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-3,4-dinitrohexyl]-2-methyl-1,3-dioxolane
  参考文献：
  名称：

  Stereochemical reassignment of the isomeric 2,4a,6,8a-tetramethyl-3,4,4a,7,8,8a-hexahydro-〈1,5〉naphthyridine and 2,5,2′,5′-tetramethyl-5,5′-bi-Δ1-pyrrolinyl, and oftheir dioxides

  摘要：

  The stereochemical relationships between the isomeric 5,6-dimethyl-5,6-dinitrodecane-2,9-diones and their reduction products (the: title compounds) have been established. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01465-3

文献信息

• Stereochemical reassignment of the isomeric 2,4a,6,8a-tetramethyl-3,4,4a,7,8,8a-hexahydro-〈1,5〉naphthyridine and 2,5,2′,5′-tetramethyl-5,5′-bi-Δ1-pyrrolinyl, and oftheir dioxides
  作者：Joëlle Pérard-Viret、Guillaume Van der Rest、André Rassat

  DOI：10.1016/s0040-4039(99)01465-3

  日期：1999.9

  The stereochemical relationships between the isomeric 5,6-dimethyl-5,6-dinitrodecane-2,9-diones and their reduction products (the: title compounds) have been established. (C) 1999 Elsevier Science Ltd. All rights reserved.