Bis(2,2-dinitropropyl) Thionocarbonate | 80445-01-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: Bis(2,2-dinitropropyl) Thionocarbonate
• 英文别名: bis(2,2-dinitropropyl)thionocarbonate；Bis(dinitropropyl)thiocarbonate；bis(2,2-dinitropropoxy)methanethione
• CAS: 80445-01-8
• 化学式: C₇H₁₀N₄O₁₀S
• 分子量: 342.243
• InChiKey: LQWOYVONCHRVBI-UHFFFAOYSA-N

物化性质

• 熔点：
  86-87 °C(Solv: chloroform (67-66-3))
• 沸点：
  443.9±55.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  234
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Bis(2,2-dinitropropyl) Thionocarbonate 在 fluorine 作用下， 以 乙腈 为溶剂， 反应 0.58h， 以87%的产率得到bis(2,2-dinitropropyl)difluoroformal
  参考文献：
  名称：

  硝基取代的硫代碳酸酯的合成与氟化

  摘要：

  硫代羰基氯与 β-硝基醇反应生成对称的硫代碳酸酯。双(2-氟-2,2-二硝基乙基)亚硫基碳酸酯的酯交换得到2-氟-2,2-二硝基乙基亚硫基碳酸酯烷基酯。这些硫羰碳酸酯的氟化产生相应的二氟甲缩醛。

  DOI：

  10.1007/bf00697090
• 作为产物：
  描述：

  2,2-二硝基-1-丙醇 、 1,1'-thiocarbonylbis(1,2,4-triazole) 在 吡啶 作用下， 以 丙酮 为溶剂， 以4.27 g (83%)的产率得到Bis(2,2-dinitropropyl) Thionocarbonate
  参考文献：
  名称：

  Chemical compounds

  摘要：

  式为(RCH.sub.2 O).sub.2 CCl.sub.2的二氯甲醛，其中R为--C(NO.sub.2).sub.3，--CF(NO.sub.2).sub.2，--CF.sub.2 (NO.su)，--CCl(NO.sub.2).sub.2，--C(NO.sub.2).sub.2 CH.sub.3，--CCl.sub.3，--CF.sub.3或--CF.sub.2 CF.sub.3。这些二氯甲醛通过在Friedel-Craft催化剂（例如AlCl.sub.3或TiCl.sub.4）存在下，将相应的硫代碳酸酯(RCH.sub.2 O).sub.2 C.dbd.S（其中R如上所定义）与亚磺酰氯反应制备而成。另一种方法是在极性添加剂（例如2,2,2-三氟乙醇或乙腈）存在下，将硫代碳酸酯与氯气反应。这些高能二氯甲醛可用作爆炸和推进剂成分，并用作合成其他高能爆炸和推进剂成分的中间体。

  公开号：

  US05631406A1

文献信息

• 2:2 mixed Fluoro-, and fluoronitroalkyl orthocarbonates
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US05783732A1

  公开（公告）日：1998-07-21

  2:2 mixed orthocarbonates of the formula ##STR1## wherein R.noteq.R' and wherein R and R' are --C(NO.sub.2).sub.3, --CF(NOb.2).sub.2, --CF.sub.2 (NO.sub.2), --C(NO.sub.2).sub.2 CH.sub.3, --CH(NO.sub.2)CH.sub.3, --CH(NO.sub.2)CH.sub.3, --CH.sub.2 (NO.sub.2), --CF.sub.3, or --CF.sub.2 CF.sub.3, and methods of preparation. Additionally, orthoformates of the formula ##STR2## wherein R is --C(NO.sub.2).sub.2 CH.sub.3, --CF.sub.2 (NO.sub.2), --CH(NO.sub.2)CH.sub.3, and --CH.sub.2 (NO.sub.2), and methods of preparation.

  公式为##STR1##的2:2混合正碳酸盐，其中R不等于R'，且R和R'为--C(NO.sub.2).sub.3，--CF(NOb.2).sub.2，--CF.sub.2(NO.sub.2)，--C(NO.sub.2).sub.2 CH.sub.3，--CH(NO.sub.2)CH.sub.3，--CH(NO.sub.2)CH.sub.3，--CH.sub.2(NO.sub.2)，--CF.sub.3或--CF.sub.2CF.sub.3，并提供制备方法。此外，公式为##STR2##的正甲酸酯，其中R为--C(NO.sub.2).sub.2 CH.sub.3，--CF.sub.2(NO.sub.2)，--CH(NO.sub.2)CH.sub.3和--CH.sub.2(NO.sub.2)，并提供制备方法。
• 1:1:2 And 1:3 mixed polynitroethyl orthocarbonates via mixed
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US04449000A1

  公开（公告）日：1984-05-15

  A 1:1:2 mixed orthocarbonate of the formula ##STR1## wherein R and R" are each one of the following groups --CH.sub.2 C(NO.sub.2).sub.2 CH.sub.3, --CH.sub.2 C(NO.sub.2).sub.3, --CH.sub.2 CF(NO.sub.2).sub.2, --CH.sub.2 CF.sub.2 (NO.sub.2), and --CH.sub.2 CF.sub.3, and R' is one of the following CH.sub.2 CF(NO.sub.2).sub.2, CH.sub.2 CF.sub.2 (NO.sub.2), and CH.sub.2 CF.sub.3, provided that R.noteq.R', R.noteq.R", and R'.noteq.R". These 1:1:2 orthoconates are produced by the following reaction sequence: ##STR2## wherein R, R', and R" are as defined above. By choosing R and R" to be the same and either --CH.sub.2 (NO.sub.2).sub.2 CH.sub.3 or --CH.sub.2 C(NO.sub.2).sub.3 in the above reaction, 1:3 mixed orthocarbonates of the formula ##STR3## wherein R.noteq.R', R".noteq.R', R=R", and R and R" are each CH.sub.2 C(NO.sub.2).sub.2 CH.sub.3, CH.sub.2 C(NO.sub.2).sub.3, CH.sub.2 CF.sub.2 (NO.sub.2), or CH.sub.2 CF.sub.3, and R' is CH.sub.2 CF(NO.sub.2).sub.2, CH.sub.2 CF.sub.2 (NO.sub.2) or CH.sub.2 CF.sub.3 may be prepared.

  公式为##STR1##的1:1:2混合正羟碳酸酯，其中R和R"分别是以下各组之一--CH.sub.2 C(NO.sub.2).sub.2 CH.sub.3，--CH.sub.2 C(NO.sub.2).sub.3，--CH.sub.2 CF(NO.sub.2).sub.2，--CH.sub.2 CF.sub.2 (NO.sub.2)，和--CH.sub.2 CF.sub.3，而R'是以下CH.sub.2 CF(NO.sub.2).sub.2，CH.sub.2 CF.sub.2 (NO.sub.2)，和CH.sub.2 CF.sub.3之一，前提是R不等于R'，R不等于R"，且R'不等于R"。这些1:1:2正羟碳酸酯是通过以下反应序列产生的：##STR2##其中R，R'和R"如上定义。通过选择R和R"相同且在上述反应中为--CH.sub.2 (NO.sub.2).sub.2 CH.sub.3或--CH.sub.2 C(NO.sub.2).sub.3，可以制备公式为##STR3##的1:3混合正羟碳酸酯，其中R不等于R'，R"不等于R'，R=R"，且R和R"分别是CH.sub.2 C(NO.sub.2).sub.2 CH.sub.3，CH.sub.2 C(NO.sub.2).sub.3，CH.sub.2 CF.sub.2 (NO.sub.2)，或CH.sub.2 CF.sub.3，而R'是CH.sub.2 CF(NO.sub.2).sub.2，CH.sub.2 CF.sub.2 (NO.sub.2)或CH.sub.2 CF.sub.3。
• Derivatives of energetic orthoformates
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US04499309A1

  公开（公告）日：1985-02-12

  Energetic orthoformates of the formula ##STR1## wherein R and R' vary independently and R is --CH.sub.2 C(NO.sub.2).sub.2 H.sub.3, --CH.sub.2 C(NO.sub.2).sub.3, --CH.sub.2 CF(NO.sub.2).sub.2, --CH.sub.2 CF.sub.2 (NO.sub.2), or --CH.sub.2 CF.sub.3, R' is --CH.sub.2 CF(NO.sub.2).sub.2, --CH.sub.2 F.sub.2 (NO.sub.2), or --CH.sub.2 CF.sub.3, and Y is --F, --N.sub.3, --C.tbd.N, ##STR2## and methods of preparation.

  公式为##STR1##的高能量正酸酯，其中R和R'独立变化，R为--CH.sub.2 C(NO.sub.2).sub.2 H.sub.3，--CH.sub.2 C(NO.sub.2).sub.3，--CH.sub.2 CF(NO.sub.2).sub.2，--CH.sub.2 CF.sub.2(NO.sub.2)，或--CH.sub.2 CF.sub.3，R'为--CH.sub.2 CF(NO.sub.2).sub.2，--CH.sub.2 F.sub.2(NO.sub.2)，或--CH.sub.2 CF.sub.3，Y为--F，--N.sub.3，--C.tbd.N，##STR2##，以及制备方法。
• Chemical compounds
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US05631406A1

  公开（公告）日：1997-05-20

  Dichloroformals of the formula (RCH.sub.2 O).sub.2 CCl.sub.2 wherein R is --C(NO.sub.2).sub.3, --CF(NO.sub.2).sub.2, --CF.sub.2 (NO.su), --CCl(NO.sub.2).sub.2, --C(NO.sub.2).sub.2 CH.sub.3, --CCl.sub.3, --CF.sub.3, or --CF.sub.2 CF.sub.3. These dichloroformals are prepared by reacting the corresponding thionocarbonate of the formula (RCH.sub.2 O).sub.2 C.dbd.S, wherein R is as defined above, with sulfuryl chloride in the presence of a Friedel-Craft catalyst (e.g., AlCl.sub.3 or TiCl.sub.4). Another method is to react the thionocarbonate with chlorine gas in the presence of a polar additive such as 2,2,2-trifluoroethanol or acetonitrile. These energetic dichloroformals are useful as explosive and propellant ingredients and as intermediates in the synthesis of other energetic explosive and propellant ingredients.

  式为(RCH.sub.2 O).sub.2 CCl.sub.2的二氯甲醛，其中R为--C(NO.sub.2).sub.3，--CF(NO.sub.2).sub.2，--CF.sub.2 (NO.su)，--CCl(NO.sub.2).sub.2，--C(NO.sub.2).sub.2 CH.sub.3，--CCl.sub.3，--CF.sub.3或--CF.sub.2 CF.sub.3。这些二氯甲醛通过在Friedel-Craft催化剂（例如AlCl.sub.3或TiCl.sub.4）存在下，将相应的硫代碳酸酯(RCH.sub.2 O).sub.2 C.dbd.S（其中R如上所定义）与亚磺酰氯反应制备而成。另一种方法是在极性添加剂（例如2,2,2-三氟乙醇或乙腈）存在下，将硫代碳酸酯与氯气反应。这些高能二氯甲醛可用作爆炸和推进剂成分，并用作合成其他高能爆炸和推进剂成分的中间体。
• Preparing dichloroformals
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US05155281A1

  公开（公告）日：1992-10-13

  A method of preparing dichloroformals of the formula (RCH.sub.2 O).sub.2 CCl.sub.2 by reaction of one mole of a thionocarbonate of the formula (RCH.sub.2 O).sub.2 C.dbd.S with two moles of benzenesulfenyl chloride, chlorobenzenesulfenyl chloride, r methanesulfenyl chloride wherein R is --C(NO.sub.2).sub.3, --CF(NO.sub.2).sub.2, --CF.sub.2 (NO.sub.2), --CCl(NO.sub.2).sub.2, --C(NO.sub.2).sub.2 CH.sub.3, --CCl.sub.3, --CF.sub.3, or --CF.sub.2 CF.sub.3. These energetic dichloroformals are useful as explosive and propellant ingredients and as intermediates in the synthesis of other energetic explosive and propellant ingredients.

  通过将公式为(RCH.sub.2 O).sub.2 C.dbd.S的硫代氧酸酯和苯基硫酰氯、氯苯基硫酰氯或甲基硫酰氯的两摩尔反应制备公式为(RCH.sub.2 O).sub.2 CCl.sub.2的二氯甲醛，其中R为--C(NO.sub.2).sub.3、--CF(NO.sub.2).sub.2、--CF.sub.2 (NO.sub.2)、--CCl(NO.sub.2).sub.2、--C(NO.sub.2).sub.2 CH.sub.3、--CCl.sub.3、--CF.sub.3或--CF.sub.2 CF.sub.3。这些高能二氯甲醛可用作爆炸和推进剂成分，以及合成其他高能爆炸和推进剂成分的中间体。