2-methylpropylidene difluoride | 62126-91-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 2-methylpropylidene difluoride
• 英文别名: 1,1-difluoro-2-methylpropane
• CAS: 62126-91-4
• 化学式: C₄H₈F₂
• 分子量: 94.1043
• InChiKey: ILTXOELGTIIKDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-Methylpropane-1,1-diyl bis(trifluoromethanesulfonate) 在 1,8-双二甲氨基萘 、 triethylamine tris(hydrogen fluoride) 作用下， 以 二氯甲烷 为溶剂， 反应 5.5h， 生成 2-methylpropylidene difluoride
  参考文献：
  名称：

  Preparation of 1,1-difluoroalkanes from aldehydes via 1,1-bistriflates: Advantageous use of HF–Lewis base reagents

  摘要：

  Alkane-1,1-bistriflates, prepared in excellent yields by reaction of aldehydes with triflic anhydride, are converted to their respective 1,1-difluoroalkanes in good to excellent yield through reaction with fluorinating agent, triethylaminetrishydrofluoride. Straight chain 1,1-bistriflates are more reactive than those substituted at the 2-position, but the latter are also converted successfully, without evidence of any rearrangement products. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.06.020

文献信息

• Arylsulfur trifluorides: Improved method of synthesis and use as in situ deoxofluorination reagents
  作者：Wei Xu、Henry Martinez、William R. Dolbier

  DOI：10.1016/j.jfluchem.2011.05.001

  日期：2011.7

  improved method of synthesis of arylsulfur trifluorides, including the excellent, new deoxofluorination reagent Fluolead, is hereby reported. The method utilizes Br2 and KF as oxidizing and fluorinating reagents for efficient, high yield conversion of aryl disulfides and mercaptans to arylsulfur trifluorides. It has also been shown that both Fluolead and mesitylsulfur trifluoride may be generated in acetonitrile

  在梅田和温特的最新研究成果的基础上，据报道，一种改进的合成芳基三氟化物的方法，包括优异的新型脱氧氟化试剂Fluolead。该方法利用Br 2和KF作为氧化和氟化试剂，将芳基二硫化物和硫醇高效，高产率地转化为芳基三氟化硫。还显示出，在乙腈中可能会生成Fluolead和三氟甲磺酸三氟化硫，并用作原位脱氧氟化试剂，用于将醛或酮转化为各自的宝石-二氟化合物。对可能的作用机理的分析，包括计算工作，允许假定作为脱氧氟化试剂的不同芳基三氟化硫的高度可变反应性的基本原理。
• Preparation of 1,1-difluoroalkanes from aldehydes via 1,1-bistriflates: Advantageous use of HF–Lewis base reagents
  作者：William R. Dolbier、Masamune Okamoto

  DOI：10.1016/j.jfluchem.2014.06.020

  日期：2014.11

  Alkane-1,1-bistriflates, prepared in excellent yields by reaction of aldehydes with triflic anhydride, are converted to their respective 1,1-difluoroalkanes in good to excellent yield through reaction with fluorinating agent, triethylaminetrishydrofluoride. Straight chain 1,1-bistriflates are more reactive than those substituted at the 2-position, but the latter are also converted successfully, without evidence of any rearrangement products. (C) 2014 Elsevier B.V. All rights reserved.