2-氟-2,2-二硝基乙基硫酸 | 53510-13-7

• 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
• 中文名称: 2-氟-2,2-二硝基乙基硫酸
• 英文名称: 2-fluoro-2,2-dinitroethylsulfuric acid
• 英文别名: (2-fluoro-2,2-dinitroethyl) hydrogen sulfate
• CAS: 53510-13-7
• 化学式: C₂H₃FN₂O₈S
• 分子量: 234.119
• InChiKey: TTZLGOSQKQMDGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  164
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-氟-2,2-二硝基乙基硫酸 、 碘乙酸 生成 2-fluoro-2,2-dinitroethyl iodoacetate
  参考文献：
  名称：

  Esterification of carboxylic acids employing 2-fluoro-2, 2-dinitroethylsulfuric acid

  摘要：

  DOI：

  10.1007/bf00930163
• 作为产物：
  描述：

  1-fluoro-1,1-dinitro-2-nitrooxy-ethane 在 氯磺酸 作用下， 以95%的产率得到2-氟-2,2-二硝基乙基硫酸
  参考文献：
  名称：

  Synthesis of alkylsulfuric acids from alkyl nitrates and chlorosulfonic acid

  摘要：

  DOI：

  10.1007/bf00954453

文献信息

• Esterification of 1,2,5-oxadiazolylacetic acids with polynitro alcohols
  作者：T. V. Romanova、M. P. Zelenov、S. F. Mel’nikova、I. V. Tselinsky

  DOI：10.1007/s11172-009-0303-0

  日期：2009.10

  Reactions of 4-substituted (1,2,5-oxadiazol-3-yl)acetic acids with 2,2,2-trinitro- and 2-fluoro-2,2-dinitroethanols afford the corresponding esters that can be useful as components of gas generating compositions.

  4-取代(1,2,5-恶二唑-3-基)乙酸与2,2,2-三硝基和2-氟-2,2-二硝基乙醇的反应生成相应的酯，这些酯可以作为气体生成组合物的组分。
• Reaction of 2 -fluoro-2,2-dinitroethylsulfuric acid with ?-hydroxycarboxylic acids and some of their derivatives
  作者：G. V. Oreshko、M. A. Fadeev、L. T. Eremenko

  DOI：10.1007/bf00956159

  日期：1983.5
• Cubane derivatives 1. Synthesis and molecular structures of the esters of 1,4-cubanedicarboxylic acid
  作者：L. T. Eremenko、L. B. Romanova、M. E. Ivanova、I. L. Eremenko、S. E. Nefedov、Yu. T. Struchkov

  DOI：10.1007/bf00699835

  日期：1994.4

  An effective method of esterification of 1,4-cubanedicarboxylic acid with alkylsulfuric acids is proposed. The derivatives of alkanols with substantially different pK(a) values are obtained in high yields. Molecular structures of the esters obtained are confirmed by various methods. The X-ray study showed a remarkable effect of the nature of an alkyl radical on the geometry of the cubane core.
• An efficient synthesis of pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylates
  作者：L. T. Eremenko、L. B. Romanova、M. E. Ivanova、E. L. Ignat'eva

  DOI：10.1007/bf00704026

  日期：1993.4

  Dialkyl pentacyclo[4.2.0.0(2,5).03,8.04,7]octane-1,4-dicarboxylates (where alkyl is methyl, iso-propyl, 2-fluoro-2,2-dinitroethyl, or 2,2,2-trinitroethyl) were prepared in high yields by 0-alkylation of 1,4-cubanedicarboxylic acid with the corresponding monoalkyl sulfates.
• Esterification of carboxylic acid derivatives with 2-fluoro-2,2-dinitroethylsulfuric acid
  作者：L. T. Eremenko、G. V. Oreshko、L. B. Romanova、M. A. Fadeev

  DOI：10.1007/bf00921847

  日期：1977.2