4-trifluoromethylcumyl bromide | 133480-35-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-trifluoromethylcumyl bromide
• 英文别名: 2-bromo-2-(4'-(trifluoromethyl)phenyl)propane；1-(2-Bromopropan-2-yl)-4-(trifluoromethyl)benzene
• CAS: 133480-35-0
• 化学式: C₁₀H₁₀BrF₃
• 分子量: 267.089
• InChiKey: YYGMKFDVMVLTPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-trifluoromethylcumyl bromide 生成 methyl 4-(trifluoromethyl)cumyl ether
  参考文献：
  名称：

  Photochemically generated ion and radical pairs. Self-destructive charge-transfer complexes

  摘要：

  Irradiation of CT complexes between 4-methoxy-4'-X-bicumenes, 1a-e (X = H, a; OMe, b; Me, c, CF3, d, CN, e) and tetranitromethane (2) results in efficient generation of radical and ion pairs (phi-almost-equal-to 0.20). The identity of the final products depends on the dynamics of these pairs, which in turn is dramatically influenced by substitution and solvent. In all cases, 2.- dissociates rapidly ( < 3 ps) into (NO2)C-3(-) (4-) and NO2.. In CH2Cl2, 1a.+ reacts with 4- (aromatic trinitromethylation) and undergoes C-C bond fragmentation before diffusional separation of fragments can occur. Thus, a tetrad of reactive intermediates (cumyl radical, NO2., p-methoxycumyl cation and 4-) are produced in a single solvent cage. The cumyl radical is oxidized by 2, and both cumyl cations undergo alpha-trinitromethylation. The cumyl cations undergo trinitromethylation in the original solvent cage which is kinetically equivalent to a contact ion pair (CIP). In CH3CN the fragmentation is accompanied by aromatic nitration (radical collapse). In this solvent, the p-methoxycumyl cations produced by cleavage reaction undergo trinitromethylation at the CIP stage, but cumyl cations produced by thermal oxidation of the cumyl radicals are trapped by 4- at the solvent-separated ion pair stage. In CH2Cl2, 1b-c.+ undergo exclusively fragmentation, completely within the solvent cage. The cleavage of 1d-e.+ is much slower, and the radical cations undergo instead aromatic trinitromethylations. The observed substituent effect on the rate of cleavage (p+ = -2.2) indicates significant charge transfer across the scissile bond in the transition state for this process. The products of these reactions are predominantly derived from ion annihilation. The radical coupling processes are limited to radical cation/radical collapse that lead to nitrated products.

  DOI：

  10.1021/jo00313a021
• 作为产物：
  描述：

  4-(三氟甲基)二甲基氨基甲酸苯酯 在 氢溴酸 作用下， 以 苯 为溶剂， 反应 0.5h， 生成 4-trifluoromethylcumyl bromide
  参考文献：
  名称：

  Arnold, Donald R.; Nicholas, A. Martin de P.; Snow, Miles S., Canadian Journal of Chemistry, 1985, vol. 63, p. 1150 - 1156

  摘要：

  DOI：

文献信息

• Process for the production of living radical polymers and polymers
  申请人：Yamago Shigeru

  公开号：US20060135711A1

  公开（公告）日：2006-06-22

  A process for producing a living radical polymer characterized in that a vinyl monomer is polymerized with use of an organotellurium compound represented by the formula (1) and an azo type polymerization initiator, and the living radical polymer obtainable by the process wherein R 1 is C 1 -C 8 alkyl, aryl, substituted aryl or an aromatic heterocyclic group, R 2 and R 3 are each a hydrogen atom or C 1 -C 8 alkyl, and R 4 is aryl, substituted aryl, an aromatic heterocyclic group, acyl, oxycarbonyl or cyano.

  使用由公式（1）表示的有机碲化合物和偶氮类聚合引发剂聚合乙烯单体的生活自由基聚合物的生产方法，其中所述生活自由基聚合物可通过该方法获得 其中R1为C1-C8烷基，芳基，取代芳基或芳香杂环基，R2和R3分别为氢原子或C1-C8烷基，R4为芳基，取代芳基，芳香杂环基，酰基，氧羰基或氰基。
• Organic tellurium compound, process for producing the same, living radical polymerization initiator, process for producing polymer with the same, and polymer
  申请人：Yamago Shigeru

  公开号：US20050245714A1

  公开（公告）日：2005-11-03

  An organotellurium compound of the formula (1) is useful as a living radical polymerization initiator and makes possible precision control of molecular weights and molecular weight distributions under mild conditions wherein R 1 is C 1 -C 8 alkyl, R 2 and R 3 are each a hydrogen atom or C 1 -C 8 alkyl, and R 4 is aryl, substituted aryl, aromatic heterocyclic group, hydroxycarbonyl or cyano.

  化学式为（1）的有机碲化合物可用作活性自由基聚合引发剂，能够在温和条件下实现分子量和分子量分布的精确控制。其中，R1为C1-C8烷基，R2和R3分别为氢原子或C1-C8烷基，R4为芳基，取代芳基，芳香族杂环基，羟基羰基或氰基。
• Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer
  申请人：Yamago Shigeru

  公开号：US20090299008A1

  公开（公告）日：2009-12-03

  An organoantimony compound represented by the formula (1), processes for producing polymers with use of the compound, and polymers wherein R 1 and R 2 are C 1 -C 8 alkyl, aryl, substituted aryl or an aromatic heterocyclic group, R 3 and R 4 are each a hydrogen atom or C 1 -C 8 alkyl, and R 5 is aryl, substituted aryl, an aromatic heterocyclic group, oxycarbonyl or cyano.

  一种有机锑化合物，其化学式表示为（1），使用该化合物生产聚合物的方法，以及其中R1和R2为C1-C8烷基，芳基，取代芳基或芳香族杂环基，R3和R4分别为氢原子或C1-C8烷基，R5为芳基，取代芳基，芳香族杂环基，氧羰基或氰基的聚合物。
• ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER
  申请人：YAMAGO Shigeru

  公开号：US20110275774A1

  公开（公告）日：2011-11-10

  An organoantimony compound represented by the formula (1), processes for producing polymers with use of the compound, and polymers wherein R 1 and R 2 are C 1 -C 8 alkyl, aryl, substituted aryl or an aromatic heterocyclic group, R 3 and R 4 are each a hydrogen atom or C 1 -C 8 alkyl, and R 5 is aryl, substituted aryl, an aromatic heterocyclic group, oxycarbonyl or cyano.

  一种有机锑化合物，其化学式表示为(1)，使用该化合物制备聚合物的方法，以及其中R1和R2为C1-C8烷基、芳基、取代芳基或芳香族杂环基，R3和R4分别为氢原子或C1-C8烷基，R5为芳基、取代芳基、芳香族杂环基、氧羰基或氰基的聚合物。
• TETRAHYDROISOQUINOLINE DERIVATIVES
  申请人：Liu Julie

  公开号：US20090192188A1

  公开（公告）日：2009-07-30

  This invention relates to novel tetrahydroisoquinoline derivatives, their derivatives, pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a dual OX-1/OX-2 orexin antagonist.

  本发明涉及新型四氢异喹啉衍生物、其衍生物和其药学上可接受的盐。本发明还提供了包含本发明化合物的组合物，并且提供了使用这种组合物治疗通过给予双重OX-1/OX-2荷尔蒙受体拮抗剂有益治疗的疾病和病症的方法。