5-(4-甲基戊烷-2-基)-1,3-二嗪农-2,4,6-三酮 | 78092-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-(4-甲基戊烷-2-基)-1,3-二嗪农-2,4,6-三酮
• 英文名称: 5-(1,3-dimethyl-butyl)-barbituric acid
• 英文别名: 5-(1,3-Dimethyl-butyl)-barbitursaeure；2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethylbutyl)-；5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
• CAS: 78092-58-7
• 化学式: C₁₀H₁₆N₂O₃
• 分子量: 212.249
• InChiKey: ZVNHORPINPVWMI-UHFFFAOYSA-N

物化性质

• 熔点：
  199 °C
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  巴比妥酸 、 4-甲基-2-戊酮 在 甲醇 、 palladium on activated charcoal 作用下， 生成 5-(4-甲基戊烷-2-基)-1,3-二嗪农-2,4,6-三酮
  参考文献：
  名称：

  US2446503

  摘要：

  公开号：

文献信息

• COMPOSITION WITH EXCELLENT STORAGE STABILITY USING HIGHLY BASIC FILLER
  申请人：Shofu Inc.

  公开号：EP3542775A2

  公开（公告）日：2019-09-25

  To provide a polymerizable composition having high storage stability and high color stability. To provide a two-paste type dental polymerizable composition of the present invention is a two-paste type dental polymerizable composition comprising a first paste containing (A) at least one kind of polemerizable monomer, an (B) organic peroxide as a chemical polymerization initiator, and a (C) basic filler, and a second paste containing (A) at least one kind of polemerizable monomer, a (C) basic filler and an (D) aromatic amine compound as a chemical polymerization accelerator, wherein the second paste contains 30 to 80 parts by weight of the (C) basic filler based on 100 parts by weight of the total amount of the second paste.

  提供一种具有高储存稳定性和高颜色稳定性的可聚合组合物。本发明提供一种双膏型牙科可聚合组合物，它是一种双膏型牙科可聚合组合物，包括第一种膏体，其中含有(A)至少一种可极化单体、(B)作为化学聚合引发剂的有机过氧化物和(C)碱性填料、和含有(A)至少一种可极化单体、(C)碱性填料和(D)作为化学聚合促进剂的芳香胺化合物的第二糊剂，其中第二糊剂含有 30 至 80 份（按重量计）(C)碱性填料，以第二糊剂总量的 100 份（按重量计）为基准。
• TWO-PASTE TYPE RESIN-REINFORCED DENTAL GLASS IONOMER CEMENT COMPOSITION
  申请人：Shofu Inc.

  公开号：EP3733153A1

  公开（公告）日：2020-11-04

  An object of the present invention is to provide a two-paste type dental resin-reinforced glass ionomer cement composition which exhibit high surface curability even under wet conditions, which makes difficult for the surface to become cloudy even if moisture comes in contact with at the initial stage of curing, exhibits high mechanical properties, low water absorption expansion and excellent coloring resistance in the set product and is also excellent in storage stability. The two-paste type dental resin-reinforced glass ionomer cement composition of the present invention consists of two pastes, wherein at least one of the two pastes contains (a) acid-reactive glass powder, (b) polymer of acidic group-containing polymerizable monomer, (c) water, (d) hydroxyl group-containing (meth)acrylate-based polymerizable monomer, (e) tri or more functional (meth)acrylamide-based polymerizable monomer, and (f) polymerization initiator, wherein the paste containing the (c) water does not contain at least one of the (a) acid-reactive glass powder and the (b) polymer of acidic group-containing polymerizable monomer.

  本发明的目的是提供一种双膏型牙科树脂增强玻璃离子水泥组合物，这种组合物即使在潮湿条件下也能表现出很高的表面固化性，即使在固化初期接触到水分也很难使表面变得浑浊，在固化产品中表现出很高的机械性能、低吸水膨胀性和优异的抗着色性，而且还具有优异的储存稳定性。 本发明的双浆料型牙科树脂增强玻璃离子水泥组合物由两种浆料组成，其中至少一种浆料含有：(a) 酸反应玻璃粉；(b) 含酸性基团的可聚合单体聚合物；(c) 水；(d) 含羟基的（甲基）丙烯酸酯基可聚合单体、(f) 聚合引发剂，其中含有(c)水的浆料不含(a)酸反应玻璃粉和(b)含酸基团可聚合单体的聚合物中的至少一种。
• POWDER-LIQUID TYPE RESIN-REINFORCED DENTAL GLASS IONOMER CEMENT COMPOSITION
  申请人：Shofu Inc.

  公开号：EP3733152A1

  公开（公告）日：2020-11-04

  An object of the present invention is to provide a dental resin-reinforced glass ionomer cement composition which exhibit high surface curability even under wet conditions, which makes it difficult for the surface to become cloudy even if moisture comes in contact with at the initial stage of curing, exhibits high mechanical properties, low water absorption expansion and excellent coloring resistance in the cured product and is also excellent in storage stability. The dental resin-reinforced glass ionomer cement composition consisting of a powder material and a liquid material, wherein the powder material contains (a) acid-reactive glass powder, the liquid material contains (b) water, (c) polymer of acidic group-containing polymerizable monomer, (d) hydroxyl group-containing (meth)acrylate-based polymerizable monomer and (e) tri or more functional (meth)acrylamide-based polymerizable monomer, and at least one of the powder material and the liquid material contains (f) polymerization initiator.

  本发明的目的是提供一种牙科树脂增强玻璃离聚体水泥组合物，该组合物即使在潮湿条件下也能表现出较高的表面固化性，即使在固化初期接触到水分也很难使表面变得浑浊，固化后的产品具有较高的机械性能、较低的吸水膨胀性和优异的抗着色性，而且还具有优异的储存稳定性。 由粉末材料和液体材料组成的牙科树脂增强玻璃离聚体水泥组合物，其中粉末材料包含（a）酸反应玻璃粉，液体材料包含（b）水，（c）含酸性基团的可聚合单体聚合物，（d）含羟基基团的（甲基）丙烯酸酯基可聚合单体和（e）三种或更多官能团的（甲基）丙烯酰胺基可聚合单体，以及粉末材料和液体材料中至少一种包含（f）聚合引发剂。
• CURABLE COMPOSITION CONTAINING TRANSITION METAL ADSORBENT
  申请人：Shofu Inc.

  公开号：EP3808324A1

  公开（公告）日：2021-04-21

  To provide a dental curable composition having excellent curability and storage stability. The dental curable composition contains(a) transition metal adsorbent in which a transition metal compound of the period 4 in the periodic table is adsorbed on an inorganic particle which is non-reactive with a transition metal of the period 4 in the periodic table, (b) thiourea derivative, (c) organic peroxide having a hydroperoxide group, and (d) polymerizable monomer, wherein the (d) polymerizable monomer contains (d-1) acidic group-non-containing polymerizable monomer, and wherein a pore volume of the inorganic particle which is non-reactive with a transition metal of the period 4 in the periodic table is 0.2 cc/g or less.

  提供一种具有优异固化性和储存稳定性的牙科固化组合物。该牙科固化组合物包含：(a) 过渡金属吸附剂，其中元素周期表中第 4 周期的过渡金属化合物被吸附在与元素周期表中第 4 周期的过渡金属不反应的无机颗粒上；(b) 硫脲衍生物、(c) 具有过氧化氢基团的有机过氧化物，以及 (d) 可聚合单体，其中 (d) 可聚合单体含有 (d-1) 酸性基团-不含聚合单体，且与元素周期表中周期 4 的过渡金属不反应的无机粒子的孔体积为 0.2 cc/g 或更少。
• DENTAL PHOTOCURABLE COMPOSITION CONTAINING HIGH SOLUBLE PHOTOACID GENERATOR
  申请人：Shofu Inc.

  公开号：EP3888615A1

  公开（公告）日：2021-10-06

  [Problem] To provide a dental photocurable composition which can exhibit excellent mechanical characteristics even after returning from a low temperature to room temperature. [Solution] To provide a dental photocurable composition, comprising (A) polymerizable monomer, (B) photosensitizer, (C) photoacid generator and (D) photopolymerization accelerator and the (C) photoacid generator may include only (C-1) iodonium salt-based compound of an anion having log S of -4 or less.

  问题 提供一种牙科光固化组合物，该组合物在从低温返回室温后仍能表现出优异的机械特性。 [解决方案］ 提供一种牙科光固化组合物，该组合物由(A)可聚合单体、(B)光敏剂、(C)光酸发生器和(D)光聚合加速剂组成。