1,1,1,4,4,4-Hexafluoro-2,3-dimethylbutane-2,3-diol | 16803-68-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1,4,4,4-Hexafluoro-2,3-dimethylbutane-2,3-diol
• CAS: 16803-68-2
• 化学式: C₆H₈F₆O₂
• 分子量: 226.12
• InChiKey: NQCMZARTWFMRLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION OF OLEFINS<br/>[FR] SYSTÈME D'INITIATEUR POUR LA POLYMÉRISATION CATIONIQUE D'OLÉFINES
  申请人：ARLANXEO CANADA INC

  公开号：WO2021097557A1

  公开（公告）日：2021-05-27

  A Brønsted-Lowry acid initiator system for cationic polymerization of an ethylenically unsaturated monomer involves an initiator having a structure of Formula (I) in an anhydrous polymerization medium: (I) where: M is tantalum (Ta) or niobium (Nb); R1 and R2 are the same or different and are H, unsubstituted C1-3 alkyl, C1-3 alkyl substituted with one or more F atoms, unsubstituted phenyl or phenyl substituted by one or more halogen atoms, C1-4 alkyl moieties or halogenated C1-4 alkyl moieties; L is a molecule that coordinates to H+; and, x is 0.125 or more.

  一种Brønsted-Lowry酸引发体系用于乙烯不饱和单体的阳离子聚合，涉及在无水聚合介质中具有以下结构的引发剂：（I）其中：M为钽（Ta）或铌（Nb）；R1和R2相同或不同，为H、未取代的C1-3烷基、用一个或多个F原子取代的C1-3烷基、未取代的苯基或用一个或多个卤原子取代的苯基、C1-4烷基基团或卤代C1-4烷基基团；L是与H+配位的分子；x为0.125或更多。
• COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE
  申请人：Idemitsu Kosan Co.,Ltd.

  公开号：EP3696167A1

  公开（公告）日：2020-08-19

  A compound is represented by one of formulae (11) to (13). In the formulae (11) to (13), R1 to R4 each independently represent a group represented by a formula (1-1) or the like, or a group represented by a formula (2-1), a group represented by a formula (2-2) or the like. At least one of R1 to R4 is the group represented by the formula (1-1) or the like. At least one of R1 to R4 is the group represented by the formula (2-1), (2-2) or the like. For instance, in the formula (1-1), X1 represents an oxygen atom, a sulfur atom, or CR151R152, R101 to R110 and R151 and R152 each independently representing a hydrogen atom or a substituent. For instance, in the formulae (2-1) to (2-2), R161 to R168 and R171 and R180 each independently represent a hydrogen atom or a substituent. * each independently represents a bonding position to a carbon atom in a benzene ring in each of the formulae (11) to (13).

  化合物由式（11）至（13）之一表示。在式 (11) 至 (13) 中，R1 至 R4 各自独立地代表式 (1-1) 或类似式所代表的基团，或代表式 (2-1)、式 (2-2) 或类似式所代表的基团。R1 至 R4 中至少有一个是式 (1-1) 或类似式所代表的基团。R1 至 R4 中至少有一个是式 (2-1)、(2-2) 或类似式所代表的基团。例如，在式 (1-1) 中，X1 代表氧原子、硫原子或 CR151R152，R101 至 R110 以及 R151 和 R152 各自独立地代表氢原子或取代基。例如，在式 (2-1) 至 (2-2) 中，R161 至 R168 以及 R171 和 R180 各自独立地代表氢原子或取代基。在式（11）至（13）中，*各自独立地代表与苯环中碳原子的键合位置。
• ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP3896070A1

  公开（公告）日：2021-10-20

  An organic EL device includes an anode, a cathode, and an emitting layer interposed between the anode and the cathode, in which the emitting layer includes a delayed fluorescent compound M2 and a compound M3 represented by a formula (100), and a singlet energy S1(M2) of the compound M2 and a singlet energy S1(M3) of the compound M3 satisfy a numerical formula (Numerical Formula 1). In the formula (100), X1 is an oxygen atom or a sulfur atom, C1 is a carbon atom, R11 to R18, R2, R31, R32, R34, R35, R4 and R45 to R48 are each independently a hydrogen atom, substituent or the like, n is 1, 2, or 3. When L1 is a single bond, n is 1, k is 1, 2, or 3, m is 2, 3, or 4, k+m=5, and L1 is a single bond or linking group. S1M3>S1M2

  一种有机电致发光器件包括阳极、阴极和置于阳极与阴极之间的发光层，其中发光层包括延迟荧光化合物M2和由式（100）表示的化合物M3，化合物M2的单线能量S1(M2)和化合物M3的单线能量S1(M3)满足一个数字式（数字式1）。在式 (100) 中，X1 是氧原子或硫原子，C1 是碳原子，R11 至 R18、R2、R31、R32、R34、R35、R4 和 R45 至 R48 各自独立地是氢原子、取代基或类似物，n 是 1、2 或 3。当 L1 为单键时，n 为 1，k 为 1、2 或 3，m 为 2、3 或 4，k+m=5，L1 为单键或连接基团。S1M3>S1M2
• ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC APPLIANCE
  申请人：Idemitsu Kosan Co.,Ltd.

  公开号：EP4108660A1

  公开（公告）日：2022-12-28

  An organic electroluminescence device includes an anode, a cathode, and an emitting layer disposed between the anode and the cathode. The emitting layer contains a delayed fluorescent compound M2 having at least one deuterium atom and a compound M3 having at least one deuterium atom. A singlet energy S1(M2) of the compound M2 and a singlet energy S1(M3) of the compound M3 satisfy a relationship of a numerical formula (Numerical Formula 1). S1M3>S1M2

  一种有机电致发光装置包括一个阳极、一个阴极和一个位于阳极和阴极之间的发光层。发射层包含至少有一个氘原子的延迟荧光化合物 M2 和至少有一个氘原子的化合物 M3。化合物 M2 的单线能 S1(M2) 和化合物 M3 的单线能 S1(M3) 满足数值公式（数值公式 1）的关系。S1M3>S1M2
• ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE
  申请人：Idemitsu Kosan Co.,Ltd.

  公开号：EP4108661A1

  公开（公告）日：2022-12-28

  An organic electroluminescence device includes an anode, an emitting layer, and a cathode in this order. The emitting layer contains a delayed fluorescent compound M2 and a compound M3 having at least one deuterium atom, and the compound M3 is not a compound having a partial structure represented by a formula (1C) or (2C). S1(M2) of the compound M2 and S1(M3) of the compound M3 satisfy a relationship of a numerical formula (Numerical Formula 1). In the formulae (1C) and (2C), Y41 to Y48 are each independently a N atom, CR, or a C atom bonded to another atom or the like in the compound M3, where each R is independently a H atom or a substituent, at least one of Y41 to Y48 is a N atom, and at least one of Y41 to Y48 is a C atom bonded to another atom or the like in the compound M3. S1M3>S1M2

  一种有机电致发光装置依次包括阳极、发光层和阴极。发射层包含延迟荧光化合物 M2 和具有至少一个氘原子的化合物 M3，而化合物 M3 并非具有式（1C）或（2C）所代表的部分结构的化合物。化合物 M2 的 S1(M2)和化合物 M3 的 S1(M3)满足数值式（数值式 1）的关系。在式 (1C) 和 (2C) 中，Y41 至 Y48 在化合物 M3 中各自独立地为 N 原子、CR 或与另一个原子或类似原子键合的 C 原子，其中每个 R 独立地为 H 原子或取代基，Y41 至 Y48 中至少有一个为 N 原子，Y41 至 Y48 中至少有一个为与另一个原子或类似原子键合的 C 原子。S1M3>S1M2