Alpha,Β-二溴桂皮酸 | 708-81-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: Alpha,Β-二溴桂皮酸
• 中文别名: Ab-二溴肉桂酸
• 英文名称: (E)-2,3-Dibromo-3-phenyl-acrylic acid
• 英文别名: α,β-dibromo-trans-cinnamic acid；α,β-Dibrom-trans-zimtsaeure；α.β.Dibrom-zimtsaeure；A B-Dibromocinnamic acid；(E)-2,3-dibromo-3-phenylprop-2-enoic acid
• CAS: 708-81-6
• 化学式: C₉H₆Br₂O₂
• 分子量: 305.953
• InChiKey: YCUQJKHDFXAMBE-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Alpha,Β-二溴桂皮酸 在 sodium acetate 作用下， 以 丙酮 为溶剂， 反应 8.0h， 以82%的产率得到(Z)-β-bromostyrene
  参考文献：
  名称：

  On the planarity of styrene and its derivatives: the molecular structures of styrene and (Z)-β-bromostyrene as determined by ab initio calculations and gas-phase electron diffraction

  摘要：

  The molecular structures of styrene and (Z)-beta-bromostyrene have been studied in the pas phase at nozzle temperatures of 303 and 338 K respectively. For both molecules the electron diffraction data were consistent with the results from ab initio calculations which described the vinyl torsional motion, near the planar configurations, in terms of a double minimum potential function with barriers of 243 cal mol(-1) (styrene) and 430 cal mol(-1) (bromostyrene) at the planar form, and with the minimum energy forms 27 degrees (styrene) and 39 degrees (bromostyrene) away, The perpendicular barriers were calculated to 2.73 kcal mol(-1) (styrene) and 1.10 kcal mol(-1) (bromostyrene). The important distances (r(a)) and angles (angle(alpha)) obtained from least squares refinements of the electron diffraction data are as follows: styrene, r(C-H)(Av) = 1.102(7) Angstrom, r(C=C) = 1.355(16) Angstrom, r(C-C)(Ph) = 1.399(2) Angstrom, r(C-C=) = 1.475(23) Angstrom, angle C=C-C = 126.9(24)degrees; and bromostyrene, r(C-H)(Av) = 1.082(13) Angstrom, r(C=C) = 1.331(20) Angstrom, r(C-C)(Ph) = 1.400(2) Angstrom, r(C-C=) = 1.465(20) Angstrom, r(C-Br) = 1.893(8) Angstrom, angle C=C-C = 132.8(23)degrees, angle Br-C=C = 125.7(15)degrees, angle C-2-C-1-C-7 = 123.9(33). (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00071-9
• 作为产物：
  描述：

  苯丙炔酸 在 copper(ll) bromide 作用下， 以 甲醇 为溶剂， 反应 23.0h， 生成 Alpha,Β-二溴桂皮酸
  参考文献：
  名称：

  Cupric Halide Halogenations

  摘要：

  DOI：

  10.1021/jo01013a069

文献信息

• Retardation film and liquid crystal display device using the same
  申请人：Komatsu Shinichi

  公开号：US20090156770A1

  公开（公告）日：2009-06-18

  A retardation film, formed by stretching a film including a norbornene-based, ring-opening polymer containing a structural unit (A) represented by a formula (1), has high transparency, excellent wavelength dispersion characteristics in a single layer, is capable of providing specific retardation to broadband light, is extremely adhesive to other materials, is capable of attaining optical characteristics that are unique among negative birefringence characteristics, and is capable of providing a reverse dispersion of birefringence wavelength dispersion characteristics. The present invention also provides a liquid crystal display device using the foregoing film.

  由于拉伸包含环氧化诺博尔烯基聚合物的薄膜形成的延迟膜，包含一个由公式（1）表示的结构单元（A），具有高透明度，在单层中具有优异的波长色散特性，能够为宽带光提供特定的延迟，极易黏附于其他材料，能够获得负双折射特性中独特的光学特性，并能够提供双折射波长色散特性的反向色散。本发明还提供了使用上述膜的液晶显示器件。
• Transparentes Polymermaterial
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0267459A1

  公开（公告）日：1988-05-18

  Ein transparentes Material mit sehr guter Wärmestandfestigkeit und sehr guter Lichtleitfähigkeit besteht im wesentlichen aus einem Polymer, welches sich vorwiegend von Bromphenylacrylaten oder Bromphenylmethacrylaten ableitet.

  一种具有非常好的耐热性和非常好的导光性的透明材料主要由溴苯丙烯酸酯或溴苯甲基丙烯酸酯的聚合物组成。
• Lichtwellenleiter
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0269821A1

  公开（公告）日：1988-06-08

  Lichtwellenleiter mit sehr guter Wärmestandfestigkeit und guter Lichtleitfähigkeit bestehen aus Polymeren, welche sich von halogenierten Phenylacrylaten oder Phenylmethacrylaten ableiten.

  具有极佳耐热性和良好导光性的光纤电缆由卤代苯基丙烯酸酯或苯基甲基丙烯酸酯聚合物组成。
• RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME
  申请人：Nippon Oil Corporation

  公开号：EP2060937A1

  公开（公告）日：2009-05-20

  A retardation film, formed by stretching a film comprising a norbornene-based ring-opening polymer containing a structural unit (A) represented by the following general formula (1): [in the formula (1), n represents an integer any one of 0 and 1, X1 represents any one of a group represented by a formula: -CH=CH- and a group represented by a formula: -CH2CH2-, R1, R2, R3, and R4, which may be the same or different, each represent any one of atoms and groups selected from the group consisting of: a hydrogen atom; halogen atoms; substituted or unsubstituted hydrocarbon groups, each of which may include at least one of linking group selected from the group consisting of an oxygen atom, a nitrogen atom, a sulfur atom, and a silicon atom, and which has a number of 1 to 30 carbon atoms; and polar groups, wavy lines a and b each represent a configuration of any one of an endo or an exo, and a wavy line c represents a configuration of any one of an endo or an exo.]; wherein a content percentage of a structural unit (A-1), in which the wavy line c represents an exo configuration, among the structural units (A) in a range from 35 mol% to 100 mol%.

  一种缓凝薄膜，通过拉伸由降冰片烯基开环聚合物组成的薄膜形成，降冰片烯基开环聚合物含有由以下通式 (1) 表示的结构单元 (A)： [在式(1)中，n 代表 0 和 1 中的任一整数，X1 代表由式：-CH=CH-和由式表示的基团中的任一个：-R1、R2、R3 和 R4 可以相同或不同，各自代表选自以下组成的原子和基团中的任一个：氢原子；卤素原子；取代或未取代的烃基，其中每个烃基可包括至少一个选自由氧原子、氮原子、硫原子和硅原子组成的组的连接基团，其碳原子数为 1 至 30 个；以及极性基团，波浪线 a 和 b 分别代表内向或外向中任何一种构型，波浪线 c 代表内向或外向中任何一种构型。]；其中，波浪线 c 代表外向型构型的结构单元 (A-1) 在结构单元 (A) 中的含量百分比范围为 35 摩尔%至 100 摩尔%。
• INVERSELY DISPERSIVE RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2390690A1

  公开（公告）日：2011-11-30

  A reverse dispersion retardation film, formed by stretching a film comprising a norbornene-based ring-opening copolymer containing a structural unit (A) represented by the following general formula (1): [in the formula (1), m represents an integer of any one of 0 and 1, R1 represents a hydrogen atom or the like, X1 represents a group represented by a formula: -CH2CH2- or the like, a and b each independently represent an integer of 0 to 6, Y represents a methylene group or the like, and Z represents a methylene group or the like] and a structural unit (B) represented by the following general formula (2) : [in the formula (2), n represents an integer of any one of 0 and 1, X2 represents a group represented by a formula: -CH2CH2- or the like, R2, R3, R4, and R5 each represent a hydrogen atom or the like, wavy lines d and e each represent a configuration of any one of an endo and an exo, and a wavy line f represents a configuration of any one of an endo and an exto], wherein a total amount of the structural unit (A) and an exo-form structural unit, in which the wavy line f represents the exo configuration, among the structural units (B) is not less than 20 mol% but not more than 65 mol% of all the structural units.

  一种反向分散延缓膜，由降冰片烯基开环共聚物拉伸形成，该共聚物含有由下式（1）表示的结构单元（A）： [在式 (1) 中，m 代表 0 和 1 之间的整数，R1 代表氢原子或类似物，X1 代表由式表示的基团：-CH2CH2-或类似的基团，a 和 b 各自独立地代表 0 至 6 的整数，Y 代表亚甲基或类似的基团，Z 代表亚甲基或类似的基团]和由以下通式 (2) 代表的结构单元 (B) ： [在式 (2) 中，n 代表 0 和 1 之间的整数，X2 代表由式表示的基团：-R2、R3、R4 和 R5 分别代表氢原子或类似物，波浪线 d 和 e 分别代表内向型和外向型中任何一种构型，波浪线 f 代表内向型和外向型中任何一种构型]，其中结构单元 (A) 和外向型结构单元（其中波浪线 f 代表外向型构型）在结构单元 (B) 中的总量不低于所有结构单元的 20 摩尔%，但不超过 65 摩尔%。