1,3,5-三溴-2-苯乙烯 | 36327-34-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3,5-三溴-2-苯乙烯
• 中文别名: 1,3,5-三溴-2－乙烯基苯
• 英文名称: 2,4,6-tribromostyrene
• 英文别名: 1,3,5-tribromo-2-ethenylbenzene
• CAS: 36327-34-1
• 化学式: C₈H₅Br₃
• 分子量: 340.84
• InChiKey: ICKFOGODAXJVSQ-UHFFFAOYSA-N

物化性质

• 溶解度：
  溶于己烷

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4-乙炔基苯甲腈 、 1,3,5-三溴-2-苯乙烯 在 bis(triphenylphosphine)palladium(II)-chloride copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 反应 20.0h， 以53%的产率得到2,4,6-tris(4-etynylbenzonitrile)styrene
  参考文献：
  名称：

  Variable Pore Size, Variable Chemical Functionality, and an Example of Reactivity within Porous Phenylacetylene Silver Salts

  摘要：

  Investigations on molecular variants of the 3-fold symmetric 1,3,5-tris(4-ethynylbenzonitrile)benzene crystallized with silver triflate revealed a nearly invariant pseudohexagonal porous structure type. Modifications involved the attachment of pendant groups to the central aromatic ring of the parent molecule. Pendant groups include the vinyl group, stilbene, the chiral group myrtanol, and groups with different chemical functionalities such as alcohols, ethers, and esters. Modifications also included the addition of elongated spacer units between the central benzene ring and the peripheral nitrile groups. In these molecules the acetylene bridges of 1,3,5-tris(4-ethynylbenzonitrile)benzene were replaced with diacetylene, ethynylbenzene, and diethynylbenzene type units. Single-crystal refinements for pentoxy-2,4,6-tris(4-ethynylbenzonitril)benzene.AgOTf and 1,3,5-tris(4-(4-ethynylbenzonitrile)phenyl)benzene.AgOTf as well as powder data on 12 crystalline phases showed the consistent formation of pseudohexagonal channels, demonstrating that the parent porous architecture is stable both to functional modification of the interior of the channel as well as to enlargement of the pores. Pentoxy-2,4,6-tris(4-ethynylbenzonitrile)benzene.AgOTf refined in the monoclinic space group Am. 1,3,5-Tris(4-(4-ethynylbenzonitrile)phenyl)benzene.AgOTf was found to be triclinic with space group P (1) over bar. These crystals have pseudohexagonal channels respectively 15 and 25 Angstrom in diameter. Cell constants based on powder data are compatible with channel diameters ranging from 10 to 30 Angstrom. The latter channel diameters are among the largest known for organic porous solids. The introduction of the chiral myrtanol unit led to the preparation of a chiral porous solid. The thermal and chemical stabilities of these phases were investigated. The pseudohexagonal structure proved stable to complete solvent loss from the channel. It was found in the case of a host with alcohol functionality that an acid anhydride guest, trifluoroacetic anhydride, reacted with the host to form an ester with retention of the porous structure type.

  DOI：

  10.1021/ja991100b
• 作为产物：
  描述：

  2,4,6-溴碘苯 、 三丁基乙烯基锡 在 copper(l) iodide 、 三苯胂 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以42%的产率得到1,3,5-三溴-2-苯乙烯
  参考文献：
  名称：

  Variable Pore Size, Variable Chemical Functionality, and an Example of Reactivity within Porous Phenylacetylene Silver Salts

  摘要：

  Investigations on molecular variants of the 3-fold symmetric 1,3,5-tris(4-ethynylbenzonitrile)benzene crystallized with silver triflate revealed a nearly invariant pseudohexagonal porous structure type. Modifications involved the attachment of pendant groups to the central aromatic ring of the parent molecule. Pendant groups include the vinyl group, stilbene, the chiral group myrtanol, and groups with different chemical functionalities such as alcohols, ethers, and esters. Modifications also included the addition of elongated spacer units between the central benzene ring and the peripheral nitrile groups. In these molecules the acetylene bridges of 1,3,5-tris(4-ethynylbenzonitrile)benzene were replaced with diacetylene, ethynylbenzene, and diethynylbenzene type units. Single-crystal refinements for pentoxy-2,4,6-tris(4-ethynylbenzonitril)benzene.AgOTf and 1,3,5-tris(4-(4-ethynylbenzonitrile)phenyl)benzene.AgOTf as well as powder data on 12 crystalline phases showed the consistent formation of pseudohexagonal channels, demonstrating that the parent porous architecture is stable both to functional modification of the interior of the channel as well as to enlargement of the pores. Pentoxy-2,4,6-tris(4-ethynylbenzonitrile)benzene.AgOTf refined in the monoclinic space group Am. 1,3,5-Tris(4-(4-ethynylbenzonitrile)phenyl)benzene.AgOTf was found to be triclinic with space group P (1) over bar. These crystals have pseudohexagonal channels respectively 15 and 25 Angstrom in diameter. Cell constants based on powder data are compatible with channel diameters ranging from 10 to 30 Angstrom. The latter channel diameters are among the largest known for organic porous solids. The introduction of the chiral myrtanol unit led to the preparation of a chiral porous solid. The thermal and chemical stabilities of these phases were investigated. The pseudohexagonal structure proved stable to complete solvent loss from the channel. It was found in the case of a host with alcohol functionality that an acid anhydride guest, trifluoroacetic anhydride, reacted with the host to form an ester with retention of the porous structure type.

  DOI：

  10.1021/ja991100b

文献信息

• Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer
  申请人：Uemura Makoto

  公开号：US20070270521A1

  公开（公告）日：2007-11-22

  A transition metal compound represented by the formula, [(CpR 1 m )(CO) 2 M 1 ][M 2 (CO) 2 (CpR 2 n )], wherein Cp is a cyclopentadienyl ring, R 1 and R 2 are independently of each other a hydrocarbyl group having 1 to 20 carbon atoms, and each of at least one R 1 and at least one R 2 is a hydrocarbyl group having 5 to 20 carbon atoms, m and n are independently of each other an integer of 1 to 5, and M 1 and M 2 are independently of each other a transition metal atom of the group 8 in the periodic table of elements; a polymerization-initiator system comprising said transition metal compound; and a process for producing a polymer in the presence of the polymerization-initiator system.

  一个由该公式表示的过渡金属化合物，[(CpR1m)(CO)2M1][M2(CO)2(CpR2n)]，其中Cp是一个环戊二烯环，R1和R2是独立的烃基团，含有1至20个碳原子，至少一个R1和至少一个R2是含有5至20个碳原子的烃基团，m和n是独立的1至5的整数，M1和M2是元素周期表中8族的过渡金属原子；包括所述过渡金属化合物的聚合物化引发剂系统；以及在聚合物化引发剂系统存在的情况下生产聚合物的过程。
• EXPANDABLE COMPOSITE RESIN BEAD
  申请人：JSP CORPORATION

  公开号：US20160053068A1

  公开（公告）日：2016-02-25

  An expandable composite resin bead containing an organic physical blowing agent and a base resin composed of a composite resin obtained by polymerizing a styrene monomer in a polypropylene resin. The styrene monomer is polymerized in an amount of more than 400 parts by mass and not more than 1900 parts by mass with respect to 100 parts by mass of the polypropylene resin. The composite resin contains xylene solubles to be obtained through xylene solvent Soxhlet extraction of the expandable composite resin bead, the xylene solubles contain acetone solubles to be obtained through dissolution of the xylene solubles into acetone, and the acetone solubles have an absorbance ratio A (D 698 /D 1376 ) of an absorbance D 698 to an absorbance D 1376 that are respectively measured at a wavenumber of 698 cm −1 and 1376 cm −1 as infrared absorption spectra of the acetone solubles within a range of from 8.5 to 23.

  一种可膨胀的复合树脂珠，其中包含有机物理发泡剂和由聚合苯乙烯单体于聚丙烯树脂中获得的复合树脂基料。聚苯乙烯单体的聚合量为100份聚丙烯树脂质量中的400份至1900份之间。复合树脂含有通过对可膨胀的复合树脂珠进行二甲苯溶剂Soxhlet萃取而获得的二甲苯可溶物，该二甲苯可溶物含有通过将二甲苯可溶物溶解于丙酮中而获得的丙酮可溶物，丙酮可溶物在从8.5至23的范围内具有吸收比A（D698/D1376），该吸收比为在波数为698 cm -1和1376 cm -1的范围内测量的丙酮可溶物的红外吸收光谱中吸收D698与吸收D1376的比率。
• Process for the bromination of polystyrenes
  申请人：FERRO CORPORATION

  公开号：EP0047549A2

  公开（公告）日：1982-03-17

  The present process is one for the production of brominated styrene oligomers and polystyrene, preferably what are essentially tribrominated polystyrenes. One preferred embodiment of the process can be summarized as consisting of: 1. dissolving polystyrene having a molecular weight of at least 20,000 in a solvent and 2. reacting the dissolved polystyrene with a stoichiometric excess of bromine chloride over that required for achieving the desired degree of bromination in the presence of up to about 15% by weight of the polystyrene of a Lewis acid catalyst at about 20°C to about 50°C. The dominant substitution pattern in the trihalogenated product is at the 2,4,5 positions, with significantly lesser amounts of other isomers including 2,3,5. There does not appear to be any 2,4,6 substitution. A very small percentage of chlorine is believed to be nuclear bound.

  本工艺是生产溴化苯乙烯低聚物和聚苯乙烯的工艺，最好是生产基本上属于三溴 化聚苯乙烯的工艺。 该工艺的一个优选实施方案可概括为： 1. 将分子量至少为 20,000 的聚苯乙烯溶解在溶剂中， 2. 2. 在约 20°C 至约 50°C 的温度下，在路易斯酸催化剂的存在下，使溶解的聚苯乙烯与达到所需溴化程度所需的溴氯化物的过量进行反应，溴氯化物的过量以聚苯乙烯重量计最多约为 15%。 三卤化产品中的主要取代形式是 2、4、5 位，其他异构体（包括 2、3、5）的数量明显较少。似乎不存在任何 2,4,6 取代。据信只有极少量的氯与核结合。
• Acid-sensitive leuco dye polymeric films
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0389113A2

  公开（公告）日：1990-09-26

  A color-change dosimeter film made of a halogen-containing polymer in which is dispersed an acid-sensitive leuco dye, which dye a) is substantially free from groups that are sensitive to high-energy radiation and b) becomes colored in acid. This color-change dosimeter film (1) remains substantially colorless upon exposure to artificial illumination, including fluorescent light, for at least several months, (2) becomes colored upon exposure to high-energy radiation and accurately indicates small changes in dosage by the intensity of its color, and (3) remains substantially unchanged in its intensity of that color after being stored for several months, whether or not exposed to artificial illumination. An article of either quantitative or qualitative determination of the extent of high-energy radiation exposure is also provided, displaying a colored message of words, codes, symbols, or patterns on a substrate after exposure to the high-energy radiation.

  一种变色剂量计薄膜，由一种含卤聚合物制成，其中分散有一种对酸敏感的leuco 染料，这种染料 a) 基本上不含对高能辐射敏感的基团，b) 在酸中会变色。这种变色剂量计胶片（1）在人工照明（包括荧光灯）下至少几个月保持基本无色；（2）在高能辐射下变色，并通过颜色强度准确显示剂量的微小变化；（3）在储存几个月后，无论是否在人工照明下，颜色强度基本保持不变。此外，还提供了一种可定量或定性确定高能辐射照射程度的物品，可在高能辐射照射后在基底上显示由文字、代码、符号或图案组成的彩色信息。
• Molded article for photographic photosensitive material, molding method and package
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0622412A2

  公开（公告）日：1994-11-02

  A molded article for a photographic photosensitive material formed of a resin composition comprising of (a) 50 wt. % or more of a rubber-containing aromatic monovinyl resin having a melt flow index of 3 to 40 g/10 minutes, a bending elastic modulus of 20,000 kg/cm2 or more and a Vicat softening point of 78 °C or more and containing 1 to 12 wt. % of a rubber material, (b) 0.1 to 10 wt. % of a light-shielding material, and (c) 0.01 to 20 wt. % of at least one of a lubricant and an antistatic agent. The molded article is excellent in physical strength, photographic properties, injection moldability and the like.

  一种用于感光材料的模塑制品，由以下树脂组合物形成：(a) 50 重量％或以上的含橡胶的芳香族单乙烯基树脂，其熔体流动指数为 3 至 40 克/10 分钟，弯曲弹性模量为 20,000 千克/平方厘米或以上，维卡软化点为 78 ℃ 或以上，并含有 1 至 12 重量％的橡胶材料；(b) 0.1 至 10 重量％的遮光材料；以及 (c) 0.01 至 20 重量％的润滑剂和防腐剂中的至少一种。(a) 1 至 12 重量百分比的橡胶材料，(b) 0.1 至 10 重量百分比的遮光材料，以及 (c) 0.01 至 20 重量百分比的润滑剂和抗静电剂中的至少一种。这种模塑制品在物理强度、照相性能、注塑成型性等方面都非常出色。