1,1-[1-甲基乙基)-双-4,1-亚苯氧基]-二-2-丙醇 | 116-37-0

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 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: 1,1-[1-甲基乙基)-双-4,1-亚苯氧基]-二-2-丙醇
• 中文别名: 2,2-双(4-Beta-羟基丙氧基苯基)丙烷；双酚A双(2-羟基丙基)醚
• 英文名称: 1,1'-((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(propan-2-ol)
• 英文别名: Bisphenol A propoxylate；Bisphenol A bis(2-hydroxypropyl) ether；1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
• CAS: 116-37-0
• 化学式: C₂₁H₂₈O₄
• 分子量: 344.451
• InChiKey: MIUUNYUUEFHIHM-UHFFFAOYSA-N

物化性质

• 沸点：
  505℃
• 密度：
  1.102
• 闪点：
  260℃
• LogP：
  3.6 at 25℃

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2909499000
• 危险性防范说明：
  P261,P273,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335,H411
• 储存条件：
  存于室温、密封且干燥的环境中。

反应信息

• 作为反应物：
  描述：

  1,1-[1-甲基乙基)-双-4,1-亚苯氧基]-二-2-丙醇 在 吡啶 、 硫酸 、 乙酸酐 、 ammonium hydroxide 作用下， 反应 0.75h， 生成
  参考文献：
  名称：

  Inhibition of classical pathway of complement activation with negative charged derivatives of bisphenol A and bisphenol disulphates

  摘要：

  In order to obtain strong inhibitors of classical pathway of complement activation the low weight negative charged compounds have been investigated. On the basis of bisphenol A anionic derivatives with one or two carboxylic, sulphate and phosphate groups the critical role of negative charged groups for complement-inhibiting activity has been established. It was determined that two sulphate or phosphate groups in the molecule provide the most inhibiting effect. At the next stage a set of bisphenol disulphates of varying structures has been synthesized and investigated. Bulky hydrophobic groups (cyclohexyliden, fluorenyliden, anthronyliden) at the central part of the bisphenol molecule it was found to increase complement-inhibiting activity markedly. The replacement of the ortho-positions to the charged group by halogens or alkyl groups (allyl, propyl) increases the inhibiting effect. It was showed by ELISA that several compounds studied interact with Clq, Cl (r) over bar /Cl (s) over bar components of complement. For the set of bisphenol disulphates the QSAR equation with hydrophobic coefficient and electronic parameters has been formulated. Both hydrophobic and electrostatic interactions it was established to have a great significance for the inhibition of classical pathway of complement activation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.11.056
• 作为产物：
  描述：

  2,2-双-(4-甘胺氧苯)丙烷 在 Ru-MACHO 、 potassium tert-butylate 、 氢气 作用下， 以 甲苯 为溶剂， 75.0 ℃ 、5.0 MPa 条件下， 反应 24.0h， 以99%的产率得到1,1-[1-甲基乙基)-双-4,1-亚苯氧基]-二-2-丙醇
  参考文献：
  名称：

  钌催化的环氧化合物选择性加氢成仲醇。

  摘要：

  据报道，钌（II）催化末端环氧化物向仲醇的高选择性马尔科夫尼科夫加氢反应。容许在苯乙烯氧化物的芳基环上的多个取代。苯甲酸，缩水甘油基和脂肪族的环氧化物以及二环氧化物也容易进行氢化，以提供具有独特选择性的仲醇。对于观察到的选择性的起源，设想了金属-配体配合介导的钌-二氢化钌的形成及其反应，该反应涉及氧和环氧化物的较少取代的末端碳。

  DOI：

  10.1021/acs.orglett.9b03995

文献信息

• Dental Materials Based On Cyclopolymerizable Crosslinkers
  申请人：Ivoclar Vivadent AG

  公开号：US20210236388A1

  公开（公告）日：2021-08-05

  Dental material which comprises at least one compound of formula I, in which R 1 is a linear, branched or cyclic aliphatic C 1 -C 30 hydrocarbon radical or an aromatic C 6 -C 30 hydrocarbon radical, wherein the aliphatic or aromatic hydrocarbon radical can be substituted or unsubstituted and wherein aliphatic hydrocarbon radicals can be interrupted by one or more urethane groups, ester groups, oxygen atoms and/or sulfur atoms; X, Y, Z independently of each other in each case are -COOR 2 —, -CON(R 3 R 4 )—, an aromatic C 6 -C 10 hydrocarbon radical or CN, wherein R 2 , R 3 , R 4 in each case independently of each other is hydrogen, a linear, branched or cyclic aliphatic C 1 -C 30 hydrocarbon radical or an aromatic C 6 -C 30 hydrocarbon radical, wherein the aliphatic or aromatic hydrocarbon radical can be substituted or unsubstituted and wherein aliphatic hydrocarbon radicals can be interrupted by one or more oxygen atoms, and m is 2 or 3.

  牙科材料，其中至少包含一种符合以下式I的化合物，其中R1是线性、支链或环状脂肪族C1-C30碳氢化合物基团或芳香族C6-C30碳氢化合物基团，其中脂肪族或芳香族碳氢基团可以是取代的或未取代的，脂肪族碳氢基团可以被一个或多个脲基团、酯基团、氧原子和/或硫原子中断；X、Y、Z分别独立地分别为-COOR2—、-CON(R3R4)—、芳香族C6-C10碳氢化合物基团或CN，其中R2、R3、R4分别独立地为氢、线性、支链或环状脂肪族C1-C30碳氢化合物基团或芳香族C6-C30碳氢化合物基团，其中脂肪族或芳香族碳氢基团可以是取代的或未取代的，脂肪族碳氢基团可以被一个或多个氧原子中断，m为2或3。
• Aromatic ethers and process for producing aromatic ethers
  申请人：——

  公开号：US20040181099A1

  公开（公告）日：2004-09-16

  According to a production process, aromatic ethers are producible by reacting phenols with an oxirane compound with use of an anion exchange resin as a catalyst. According to another production process, aromatic ethers having an alcoholic hydroxyl group are producible by a crystallization-purification step of using a solvent having a solubility parameter ranging from 7.5 to 12.5 for purification by crystallization. Further, according to still another production process, producible are aromatic ethers having an alcoholic hydroxyl group, wherein the content of a metal in the aromatic ethers is less than 100 ppm by mass, and the content of a halogen element in the aromatic ethers is less than 100 ppm by mass.

  根据一个生产过程，芳香醚可通过将酚与环氧化合物反应，并使用阴离子交换树脂作为催化剂来生产。根据另一个生产过程，具有醇羟基的芳香醚可通过结晶纯化步骤，使用溶剂进行结晶纯化，其溶解度参数范围为7.5至12.5进行生产。此外，根据另一个生产过程，可生产具有醇羟基的芳香醚，其中芳香醚中金属的含量小于100ppm，卤素元素的含量小于100ppm。
• Compositions And Methods For Bioactive Dental Composites
  申请人：WANG Tongxin

  公开号：US20160113844A1

  公开（公告）日：2016-04-28

  Described herein are compositions and methods which produce hydrolytically stable resin monomers, bioactive fillers, phosphorus coupling agent and surface coating method, which can be combined to produce new generation dental composites; compositions comprising the same, as well as methods of making and using the same are also described.

  本文描述了能够产生具有水解稳定性的树脂单体、生物活性填料、磷偶联剂和表面涂层方法的组合物和方法，这些可以结合在一起生产新一代的牙科复合材料；描述了包括这些组分的组合物，以及制备和使用这些组合物的方法。
• Dental composition
  申请人：DENTSPLY Research & Development Corp.

  公开号：US20020147249A1

  公开（公告）日：2002-10-10

  A dental composition including a mono- and/or a poly-cyanoacrylate, a polymerizable monomer, a stabilizer, an initiator, and optionally, pigments and a filling material.

  一种包括单环和/或多环氰丙烯酸酯、可聚合单体、稳定剂、引发剂以及可选的颜料和填充材料的牙科组合物。
• Synthesis and flame retardant potential of polyols based on bisphenol-S
  作者：Mark F. Sonnenschein、Justin M. Virgili、David A. Babb、Bruce M. Bell、Brian C. Nickless

  DOI：10.1002/pola.28077

  日期：2016.7.15

  Polyether polyols based on bisphenol‐S were prepared by alkoxylation and compared with analogs based on bisphenol‐A, as well as standard aromatic polyester, and polyether polyols for viscosity and temperature stability. Thermo‐oxidative stability was determined by thermo‐gravimetric analysis, pyrolysis gas chromatography/mass spectroscopy, and evolved gas analysis mass spectroscopy. Incorporation of

  基于双酚S的聚醚多元醇是通过烷氧基化制备的，并与基于双酚A的类似物以及标准芳族聚酯和聚醚多元醇进行了比较，以提高粘度和温度稳定性。热氧化稳定性通过热重分析，热解气相色谱/质谱和演化气体分析质谱法确定。发现掺入砜部分可显着提高纯多元醇的热氧化稳定性。阻燃剂SO 2和芳族砜的气相放出仅在约600°C时才观察到明显的炭形成。©2016 Wiley Periodicals，Inc. J. Polym。科学，A部分：Polym。化学 2016，54，2102年至2108年

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