(bromomethyl)(phenyl)(2,3,4,5-tetramethylphenyl)sulfonium triflate | 1374153-83-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (bromomethyl)(phenyl)(2,3,4,5-tetramethylphenyl)sulfonium triflate
• 英文别名: (Bromomethyl)(phenyl)(2,3,4,5-tetramethylphenyl)sulfonium triflate；bromomethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium;trifluoromethanesulfonate
• CAS: 1374153-83-9
• 化学式: CF₃O₃S*C₁₇H₂₀BrS
• 分子量: 485.386
• InChiKey: PUCNNVFNMDJBMF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲基苯基亚砜 在 吡啶 、 溴 作用下， 以 乙醚 、 乙腈 为溶剂， 生成 (bromomethyl)(phenyl)(2,3,4,5-tetramethylphenyl)sulfonium triflate
  参考文献：
  名称：

  [EN] SULFONIUM ION BASED ELECTROPHILIC REAGENTS FOR MONOHALOMETHYL GROUP TRANSFER, THEIR PREPARATION AND USES
  [FR] RÉACTIFS ÉLECTROPHILES POUR MONOHALOMÉTHYLATION, LEUR PRÉPARATION ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2012056201A3

文献信息

• Electrophilic Reagents for Monohalomethylation, Their Preparation and Their Uses
  申请人：Leitao Emilia Perpetua Tavares

  公开号：US20130274460A1

  公开（公告）日：2013-10-17

  The invention provides electrophilic monohalomethylating reagents, methods for their preparation and methods for preparation of monohalomethylated biologically active compounds using such reagents. Typical monohalomethyl groups transferred are FH2C—, CIH2C— and others. The reagents used for transferal of the groups are described by Formulae A-D: wherein: X═F, CI, Br, I, sulfonate esters, phosphate esters or another leaving group; R11=tetrafluoroborates, inflates, halogen, perchlorate, sulfates, phosphates or carbonates The other variables are as defined in the claims.

  本发明提供了亲电性单卤甲基化试剂，其制备方法以及使用这些试剂制备单卤甲基化生物活性化合物的方法。典型的单卤甲基基团转移包括FH2C—，CIH2C—等。用于转移基团的试剂由式A-D描述：其中：X═F，CI，Br，I，磺酸酯，磷酸酯或另一离去基团；R11=四氟硼酸盐，充气剂，卤素，高氯酸盐，硫酸盐，磷酸盐或碳酸盐。其他变量如权利要求书所定义。
• Electrophilic reagents for monohalomethylation, their preparation and their uses
  申请人：Leitao Emilia Perpetua Tavares

  公开号：US09290446B2

  公开（公告）日：2016-03-22

  The invention provides electrophilic monohalomethylating reagents, methods for their preparation and methods for preparation of monohalomethylated biologically active compounds using such reagents. Typical monohalomethyl groups transferred are FH2C—, CIH2C— and others. The reagents used for transferal of the groups are described by Formulae A-D: wherein: X=F, Cl, Br, I, sulfonate esters, phosphate esters or another leaving group; R11=tetrafluoroborates, inflates, halogen, perchlorate, sulfates, phosphates or carbonates The other variables are as defined in the claims.

  本发明提供了亲电性单卤甲基化试剂，其制备方法以及使用这些试剂制备单卤甲基化生物活性化合物的方法。典型的单卤甲基基团转移为FH2C -，CIH2C -等。用于转移基团的试剂由公式A-D描述：其中：X = F，Cl，Br，I，磺酸酯，磷酸酯或另一种离去基团；R11 = 四氟硼酸盐，充气，卤素，高氯酸盐，硫酸盐，磷酸盐或碳酸盐。其他变量如权利要求中所定义。
• ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES
  申请人：Hovione Inter Limited

  公开号：EP2632896B1

  公开（公告）日：2017-03-15
• US9359294B2
  申请人：——

  公开号：US9359294B2

  公开（公告）日：2016-06-07
• [EN] ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES<br/>[FR] RÉACTIFS ÉLECTROPHILES POUR MONOHALOMÉTHYLATION, LEUR PRÉPARATION ET LEURS UTILISATIONS
  申请人：HOVIONE INT LTD

  公开号：WO2012056201A2

  公开（公告）日：2012-05-03

  The invention provides a compound of formula A, B, C or D, methods for making them, intermediates therefor, and their use in making organic biologically active compounds: (Formula (A)). Wherein: • X = F, CI, Br, I, sulfonate esters, phosphate esters or another leaving group • R1, R2, R3, R4, R5, R6, R7, R8, R9, R1O are each individually selected from H, alkyl, aryl, alkynyl, alkenyl, cycloalkyl, cycloalkenyl, alkoxy, nitro, halogen or amino; or are selected from H, C1C10 alkyl, aryl, C1C10 alkynyl, C1C10 alkenyl, C1C10 cycloalkyl, C1C10 cycloalkenyl, C1C10 alkoxy, nitro, halogen or amino • R11 = tetrafluoroborate, triflate, halogen, perclorate, sulfates, phosphates or carbonates • Excluding the case when: X = F and R1= R2 = R3 = R4= R5 = H and R6 R8 = R9 = methyl, R10 = H and R11 = triflate or tetrafluoroborate; or (Formula (B)). Wherein: X = F, CI, Br, I, sulfonate esters, phosphate esters or other another leaving group; and R1, R2, R3, R4, R5 are each individually selected from H, alkyl, aryl, alkynyl, alkenyl, cycloalkyl, cycloalkenyl, alkoxy, nitro, halogen or amino; or are selected from H, C1C10 alkyl, aryl, C1C10 alkynyl, C1C10 alkenyl, C1C10 cycloalkyl, C1C10 cycloalkenyl, C1C10 alkoxy, nitro, halogen or amino and R11 = tetrafluoroborate, triflate, halogen, perclorate, sulfates, phosphates or carbonates; and R12 = resin, naphthalene or substituted naphthalene Excluding the case when: X = F and R1= R2 = R3 = R4= R5 = H and R6 = R7 = R8 = R9 = methyl, R10 = H and R11 = triflate or tetrafluoroborate and when X = F and R1= R2 = R3 = R4= R5 = H and R12 = poly(styrene-co- divinylbenzene) and R11 = triflate or tetrafluoroborate; or (Formula (C)). Wehrein • X = F, CI, Br, I, sulfonate esters, phosphate esters or another leaving group • R13 = naphthalene or substituted naphthalene • R6, R7, R8, R9, R10 are each individually selected from H, alkyl, aryl, alkynyl, alkenyl, cycloalkyl, cycloalkenyl, alcoxy, nitro, halogen or amino; or are selected from H, C1C10 alkyl, aryl, C1C10 alkynyl, C1C10 alkenyl, C1C10 cycloalkyl, C1C10 cycloalkenyl, C1C10 alkoxy, nitro, halogen or amino • R11 = tetrafluoroborate, triflate, halogen, perclorate, sulfates, phosphates or carbonates: or (Formula (D)) X = F, CI, Br, I, sulfonate esters, phosphate esters or another leaving group R13 = naphthalene or substituted naphthalene R11 = tetrafluoroborate, triflate, halogen, perclorate, sulfates, phosphates carbonates R12 = resin, naphthalene or substituted naphthalene.