2-(2,4,6-三溴苄氧基)乙醇 | 23976-66-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2,4,6-三溴苄氧基)乙醇
• 中文别名: 2-(2,4,6-三溴苯氧基)乙醇
• 英文名称: (2,4,6-tribromophenoxy)ethanol
• 英文别名: 2-(2,4,6-tribromo-phenoxy)-ethanol；(2-Hydroxy-aethyl)-(2.4.6-tribrom-phenyl)-aether；2-(2,4,6-Tribrom-phenoxy)-aethanol；α-Oxy-β-(2.4.6-tribrom-phenoxy)-aethan；Aethylenglykol-mono-(2.4.6-tribrom-phenylaether)；2-(2.4.6-Tribromphenoxy)-ethanol；2-(2,4,6-Tribromophenoxy)ethanol
• CAS: 23976-66-1
• 化学式: C₈H₇Br₃O₂
• 分子量: 374.854
• InChiKey: GXNDUUQGAZRKDB-UHFFFAOYSA-N

物化性质

• 熔点：
  116 °C
• 沸点：
  384.7±37.0 °C(Predicted)
• 密度：
  2.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  2-(2,4,6-三溴苄氧基)乙醇 在 bis(triphenylphosphine)palladium(II)-chloride copper(l) iodide 、 四丁基氟化铵 、 水 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 12.08h， 生成
  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：

  三溴苯酚 、 2-氯乙醇 在 sodium hydroxide 、 水 作用下， 生成 2-(2,4,6-三溴苄氧基)乙醇
  参考文献：
  名称：

  一些高度卤化的酚醚作为抑菌化合物。

  摘要：

  DOI：

  10.1021/jo01166a015

文献信息

• Novel polyvalent carboxylic acid ester and their use in plastic lens compositions
  申请人：——

  公开号：US20030144447A1

  公开（公告）日：2003-07-31

  A compound favored with low viscosity, capable of providing a cured product having high refractive index, and suitable for application to optical materials, including plastic lens material, radical polymerizable flame retardant and the like, as well as a process for producing the compound, a plastic lens composition using the compound, a plastic lens obtained by curing the composition and a process for producing the plastic lens. A novel aromatic ring-containing polyvalent (meth)allyl ester derived from a polyvalent carboxylic acid of trivalent or greater valent is employed.

  一种受青睐的低粘度化合物，能够提供具有高折射率的固化产品，适用于光学材料，包括塑料镜片材料、可自由基聚合的阻燃剂等，以及生产该化合物的工艺、使用该化合物的塑料镜片组合物、通过固化该组合物获得的塑料镜片和生产塑料镜片的工艺。本发明采用了一种新颖的含芳香环的多价（甲基）烯丙基酯，该酯衍生自三价或更高价的多价羧酸。
• [EN] NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS<br/>[FR] NOUVEAUX ESTERS D'ACIDE CARBOXYLIQUE POLYVALENT ET LEUR UTILISATION DANS DES COMPOSITIONS DE LENTILLES EN PLASTIQUE
  申请人：SHOWA DENKO KK

  公开号：WO2002079140A1

  公开（公告）日：2002-10-10

  A compound favored with low viscosity, capable of providing a cured product having high refractive index, and suitable for application to optical materials, including plastic lens material, radical polymerizable flame retardant and the like, as well as a process for producing the compound, a plastic lens composition using the compound, a plastic lens obtained by curing the composition and a process for producing the plastic lens. A novel aromatic ring-containing polyvalent (meth)allyl ester derived from a polyvalent carboxylic acid of trivalent or greater valent is employed.

  本发明涉及一种具有低粘度、能够提供高折射率固化产物、并且适合应用于光学材料（包括塑料镜片材料、自由基聚合阻燃剂等）的化合物，以及制备该化合物的方法、使用该化合物的塑料镜片组合物、由该组合物固化得到的塑料镜片，以及制备塑料镜片的方法。采用了一种从三价或更高价的多官能团羧酸衍生出的新型含芳香环的多官能团（甲基）丙烯酸酯。
• Boyd; Marle, Journal of the Chemical Society, 1914, vol. 105, p. 2123
  作者：Boyd、Marle

  DOI：——

  日期：——
• US3758335A
  申请人：——

  公开号：US3758335A

  公开（公告）日：1973-09-11
• US4298709A
  申请人：——

  公开号：US4298709A

  公开（公告）日：1981-11-03

表征谱图