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triphenylsulfonium 2-valeryloxy-1,1-difluoroethanesulfonate | 1048642-00-7

中文名称
——
中文别名
——
英文名称
triphenylsulfonium 2-valeryloxy-1,1-difluoroethanesulfonate
英文别名
triphenylsulfonium 1,1-difluoro-2-(valeryloxy)ethanesulfonate;Triphenylsulfonium 2-valeryloxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-pentanoyloxyethanesulfonate;triphenylsulfanium
triphenylsulfonium 2-valeryloxy-1,1-difluoroethanesulfonate化学式
CAS
1048642-00-7
化学式
C7H11F2O5S*C18H15S
mdl
——
分子量
508.607
InChiKey
XGVNENXDSWFMHI-UHFFFAOYSA-M
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.64
  • 重原子数:
    34
  • 可旋转键数:
    9
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.24
  • 拓扑面积:
    92.9
  • 氢给体数:
    0
  • 氢受体数:
    7

反应信息

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文献信息

  • Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1,1-Difluoroethanesulfonic Acid Salt
    申请人:Jodry Jonathan Joachim
    公开号:US20110015431A1
    公开(公告)日:2011-01-20
    Disclosed is a process for producing 2-bromo-2,2-difluoroethanol, which comprises reducing a bromodifluoroacetic acid derivative represented by the formula [1] by using an ate hydride complex as a reducing agent. 2-Bromo-2,2-difluoroethanol thus produced can be used as the starting material to carry out the esterification step, the sulfination step and the oxidation step in this order, thereby producing a 2-alkylcarbonyloxy-1,1-difluoroethanesulfonic acid salt, wherein A represents a substituted or unsubstituted linear, branched or cyclic alkoxy group having 1 to 20 carbon atoms, a substituted or unsubstituted aryloxy group having 6 to 15 carbon atoms, a heteroaryloxy group having 4 to 15 carbon atoms, or a halogen atom.
    揭示了一种生产2--2,2-二氟乙醇的方法,包括使用醇盐氢化物复合物作为还原剂,通过还原由式[1]表示的二氟乙酸生物来实现。因此生产的2--2,2-二氟乙醇可用作依次进行酯化步骤、磺化步骤和氧化步骤的起始物质,从而产生2-烷基羰氧基-1,1-二氟乙烷磺酸盐,其中A代表具有1至20个碳原子的取代或未取代的线性、支链或环烷氧基团,具有6至15个碳原子的取代或未取代的芳氧基团,具有4至15个碳原子的杂芳氧基团,或卤素原子。
  • Processes for Production of 2-Bromo-2,2-Difluoroethanol and 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt
    申请人:Jodry Jonathan Joachim
    公开号:US20110319652A1
    公开(公告)日:2011-12-29
    Disclosed is a process for producing 2-bromo-2,2-difluoroethanol, which comprises reducing a bromodifluoroacetic acid derivative represented by the formula [1] by using an ate hydride complex as a reducing agent. 2-Bromo-2,2-difluoroethanol thus produced can be used as the starting material to carry out the esterification step, the sulfination step and the oxidation step in this order, thereby producing a 2-alkylcarbonyloxy-1,1-difluoroethanesulfonic acid salt, wherein A represents a substituted or unsubstituted linear, branched or cyclic alkoxy group having 1 to 20 carbon atoms, a substituted or unsubstituted aryloxy group having 6 to 15 carbon atoms, a heteroaryloxy group having 4 to 15 carbon atoms, or a halogen atom.
    本发明公开了一种生产2--2,2-二氟乙醇的过程,包括使用酸式二氟乙酸生物[1]通过使用酯基化合物作为还原剂还原。因此,生产的2--2,2-二氟乙醇可以用作开始材料,按照酯化步骤、磺化步骤和氧化步骤的顺序进行,从而生产2-烷基羰氧基-1,1-二氟乙烷磺酸盐,其中A表示具有1至20个碳原子的取代或未取代的线性、支链或环烷氧基团、具有6至15个碳原子的取代或未取代的芳氧基团、具有4至15个碳原子的杂环氧基团或卤素原子。
  • Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid salt
    申请人:Central Glass Company, Limited
    公开号:US08110711B2
    公开(公告)日:2012-02-07
    Disclosed is a process for producing 2-bromo-2,2-difluoroethanol, which comprises reducing a bromodifluoroacetic acid derivative represented by the formula [1] by using an ate hydride complex as a reducing agent. 2-Bromo-2,2-difluoroethanol thus produced can be used as the starting material to carry out the esterification step, the sulfination step and the oxidation step in this order, thereby producing a 2-alkylcarbonyloxy-1,1-difluoroethanesulfonic acid salt, wherein A represents a substituted or unsubstituted linear, branched or cyclic alkoxy group having 1 to 20 carbon atoms, a substituted or unsubstituted aryloxy group having 6 to 15 carbon atoms, a heteroaryloxy group having 4 to 15 carbon atoms, or a halogen atom.
    本发明揭示了一种生产2--2,2-二氟乙醇的方法,包括使用酸式二氟乙酸生物[1]通过使用酸式盐合物还原剂还原。因此生产的2--2,2-二氟乙醇可用作起始材料,按顺序进行酯化步骤、磺化步骤和氧化步骤,从而生成2-烷基羰氧基-1,1-二氟乙烷磺酸盐,其中A代表具有1到20个碳原子的取代或未取代的线性、支链或环状烷氧基,具有6到15个碳原子的取代或未取代的芳氧基,具有4到15个碳原子的杂环氧基或卤素原子。
  • Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt
    申请人:Central Glass Company, Limited
    公开号:US08222448B2
    公开(公告)日:2012-07-17
    Disclosed is a process for producing 2-bromo-2,2-difluoroethanol, which comprises reducing a bromodifluoroacetic acid derivative represented by the formula [1] by using an ate hydride complex as a reducing agent. 2-Bromo-2,2-difluoroethanol thus produced can be used as the starting material to carry out the esterification step, the sulfination step and the oxidation step in this order, thereby producing a 2-alkylcarbonyloxy-1,1-difluoroethanesulfonic acid salt, wherein A represents a substituted or unsubstituted linear, branched or cyclic alkoxy group having 1 to 20 carbon atoms, a substituted or unsubstituted aryloxy group having 6 to 15 carbon atoms, a heteroaryloxy group having 4 to 15 carbon atoms, or a halogen atom.
    本发明公开了一种制备2--2,2-二氟乙醇的方法,包括使用酸式二氟乙酸生物[1]并采用酯基盐为还原剂还原。所得的2--2,2-二氟乙醇可用作起始物质,依次进行酯化步骤、磺化步骤和氧化步骤,从而制得2-烷基羰氧基-1,1-二氟乙烷磺酸盐,其中A代表具有1至20个碳原子的取代或未取代的线性、支链或环烷氧基基团,具有6至15个碳原子的取代或未取代的芳氧基基团,具有4至15个碳原子的杂环氧基基团或卤素原子。
  • 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same
    申请人:Central Glass Company, Limited
    公开号:US20130317250A1
    公开(公告)日:2013-11-28
    By using an organic base when a carboxylic acid bromodifluoroethyl ester is sulfinated by using a sulfinating agent, there is obtained 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfinic acid ammonium salt. By oxidizing the 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfinic acid ammonium salt, there is obtained 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid ammonium salt. By using the 2-(alkylcarbonyloxy)-1,1-difluoroethanesulfonic acid ammonium salt as a raw material and exchanging it into an onium salt directly or through saponification/esterification, there can be obtained a 2-alkylcarbonyloxy-1,1-difluoroethanesulfonic acid onium salt.
    在使用亚磺酰化试剂对羧酸乙酯进行亚磺酰化反应时,使用有机碱,可以得到2-(烷基羰基氧基)-1,1-二氟乙烷磺酸盐。通过氧化2-(烷基羰基氧基)-1,1-二氟乙烷磺酸盐,可以得到2-(烷基羰基氧基)-1,1-二氟乙烷磺酸盐。通过直接将2-(烷基羰基氧基)-1,1-二氟乙烷磺酸盐或通过皂化/酯化交换成离子盐,可以得到2-烷基羰基氧基-1,1-二氟乙烷磺酸离子盐。
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