2-Methylprop-2-enoic acid;1-[4-(2-phenylpropan-2-yl)phenoxy]ethane-1,2-diol

• 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: 2-Methylprop-2-enoic acid;1-[4-(2-phenylpropan-2-yl)phenoxy]ethane-1,2-diol
• 英文别名: 2-methylprop-2-enoic acid;1-[4-(2-phenylpropan-2-yl)phenoxy]ethane-1,2-diol
• 化学式: C21H26O5
• 分子量: 358.4
• InChiKey: LIEMOMJIUYRBNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• DENTAL MATERIALS BASED ON URETHANE-GROUP-CONTAINING VINYLCYCLOPROPANE DERIVATIVES
  申请人：Ivoclar Vivadent AG

  公开号：US20190167533A1

  公开（公告）日：2019-06-06

  Vinylcyclopropane of general formulae I in which X, Y in each case are O or NH, wherein X and Y cannot have the same meaning, R 1 is a linear or branched C 1 -C 8 -alkyl radical, which can be interrupted by O, S, an ester group or a urethane group, R 2 is a linear or branched C 2 -C 10 -alkylene radical, which can be interrupted by O, S, an ester group or a urethane group, R 3 is a hydrocarbon radical with 1 to 20 carbon atoms, which additionally can contain one or more N, O or S atoms, and n is 1, 2, 3 or 4, preferably 1 or 2. The vinylcyclopropanes are characterized by a low shrinkage and a high reactivity on radical polymerization and are suitable in particular for the preparation of dental materials.

  通式I的乙烯环丙烷 其中X，Y在每种情况下均为O或NH，其中X和Y不能具有相同的含义，R 1 是线性或支链的C 1 -C 8 -烷基基团，可以被O，S，酯基团或脲基团中断，R 2 是线性或支链的C 2 -C 10 -烷基烃基团，可以被O，S，酯基团或脲基团中断，R 3 是具有1至20个碳原子的烃基团，此外还可以含有一个或多个N，O或S原子，n为1，2，3或4，优选为1或2。乙烯环丙烷的特点是在自由基聚合中具有低收缩和高反应性，并且特别适用于制备牙科材料。
• Polymer Materials With Unsaturated Transfer Reagents
  申请人：Ivoclar Vivadent AG

  公开号：US20200087241A1

  公开（公告）日：2020-03-19

  Radically polymerizable composition which contains at least one vinyl ether according to general formula I: in which the variables have the following meanings: A is H, CN, a cycloaliphatic, linear or branched aliphatic C 1 -C 30 hydrocarbon residue, an aromatic C 6 -C 30 hydrocarbon residue or a combination thereof; X is —COO—, —CON(R 3 )— or is dispensed with; B is H, CN, a cycloaliphatic, linear or branched aliphatic C 1 -C 30 hydrocarbon residue, an aromatic C 6 -C 30 hydrocarbon residue or a combination thereof; Y is —COO—, —CON(R 3 )— or is dispensed with; R 1-3 in each case independently of one another are hydrogen, a cycloaliphatic, linear or branched aliphatic C 1 -C 10 hydrocarbon residue or an aromatic C 6 -C 10 hydrocarbon residue; m is an integer from 1 to 6; n is an integer from 1 to 6; p is an integer from 1 to 6; wherein m and p cannot be greater than 1 at the same time and wherein if m=1, p=n, and if p=1, m=n.

  包含至少一种根据通式I的乙烯醚的根本聚合组合物：其中变量具有以下含义：A为H、CN、环脂肪、线性或支链脂肪C1-C30烃残基、芳香族C6-C30烃残基或它们的组合；X为—COO—、—CON(R3)—或省略；B为H、CN、环脂肪、线性或支链脂肪C1-C30烃残基、芳香族C6-C30烃残基或它们的组合；Y为—COO—、—CON(R3)—或省略；R1-3分别独立地为氢、环脂肪、线性或支链脂肪C1-C10烃残基或芳香族C6-C10烃残基；m为1到6的整数；n为1到6的整数；p为1到6的整数；其中m和p不能同时大于1，如果m=1，则p=n，如果p=1，则m=n。
• Dental Materials Based on Monofunctional Vinylcyclopropane Derivatives
  申请人：Ivoclar Vivadent AG

  公开号：US20180036209A1

  公开（公告）日：2018-02-08

  Dental material which contains at least one vinylcyclopropane of the general formulae I, in which A, B independently of each other are in each case OH or COOH; X, Y independently of each other are in each case O or NH; R 1 , R 2 independently of each other are in each case H or an aliphatic linear or branched C 1 -C 10 hydrocarbon radical which can be interrupted by O, S or an ester group; and n, m independently of each other are in each case 0, 1 or 2, wherein, if X=Y=O, R 1 ≠H and R 2 ≠H, n+m≧1. The vinylcyclopropanes are characterized by a low shrinkage and a high reactivity on radical polymerization and are suitable in particular for the preparation of dental materials.

  含有至少一个通式I的环丙烯基材料，其中A、B分别独立地为OH或COOH；X、Y分别独立地为O或NH；R1、R2分别独立地为H或可被O、S或酯基中断的脂肪线性或支链C1-C10碳氢基团；n、m分别独立地为0、1或2，其中，如果X=Y=O，R1≠H且R2≠H，则n+m≧1。这些环丙烯基具有低收缩率和在自由基聚合中的高反应性，特别适用于制备牙科材料。
• Dental Restorative Materials Based on Polymerizable Azides and Alkynes
  申请人：Ivoclar Vivadent AG

  公开号：US20150164750A1

  公开（公告）日：2015-06-18

  The invention relates to a dental restorative material on the basis of at least one compound of one of the Formulae The invention also relates to the use of the dental restorative materials according to the invention for preparing dental composites, preferably composite blanks, which are suitable in particular for mechanical processing by means of computer-aided processing techniques such as milling and grinding processes, and which are suitable above all for preparing dental restoration materials such as inlays, onlays, crowns, bridges or veneering materials.

  本发明涉及一种牙科修复材料，其基础是至少一种符合以下式之一的化合物。本发明还涉及根据本发明的牙科修复材料用于制备牙科复合材料，优选是适用于通过计算机辅助加工技术（如铣削和研磨过程）进行机械加工的复合坯料，特别适用于制备牙科修复材料，如嵌体、套体、冠、桥梁或贴面材料。
• 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。