1,3,5-Trimethyl-2-thioxo-4,6(1H,3H,5H)pyrimidindion | 52796-41-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,3,5-Trimethyl-2-thioxo-4,6(1H,3H,5H)pyrimidindion
• 英文别名: 1,3,5-Trimethyl-2-thiobarbitursaeure；1,3,5-trimethyl-2-thio-barbituric acid；1,3,5-trimethyl-2-thioxo-dihydro-pyrimidine-4,6-dione；1,3,5-Trimethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione；1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 52796-41-5
• 化学式: C₇H₁₀N₂O₂S
• 分子量: 186.235
• InChiKey: OZOSSJWZNHBBDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-Trimethyl-2-thioxo-4,6(1H,3H,5H)pyrimidindion 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以7%的产率得到1,1',3,3',5,5'-Hexamethyl-5,5'-bipyrimidin-2,2'-thioxo-4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-tetron
  参考文献：
  名称：

  Anodische Oxidation von 2-Thiobarbitursäuren unter Bildung neuartiger, tetracyclischer Dimerer / Anodic Oxidation of 2-Thiobarbituric Acids under Formation of New Tetracyclic Dimers

  摘要：

  硫代巴比妥酸1可以在这里描述的特殊超声电解池中阳极二聚，得到可接受的产率。在某些情况下，分离出了两种异构二聚体2和4。2与相应的巴比妥酸二聚体相同类型。另一种二聚体4具有完全不同的四环结构，由核磁共振光谱和X射线衍射表征。形成四环二聚体的机制假设得到循环伏安测量的支持。

  DOI：

  10.1515/znb-2002-0213

文献信息

• Metal complexes of biologically important ligands, CXVI. Addition of carbanions from barbituric acid derivatives to unsaturated hydrocarbons in cationic complexes for the organometallic labelling of barbituric acid
  作者：Oliver E. Woisetschläger、Karlheinz Sünkel、Wolfgang Weigand、Wolfgang Beck

  DOI：10.1016/s0022-328x(99)00107-2

  日期：1999.7

  The addition of the anion of 1,3,5-trimethyl-2-thiobarbituric acid 1 to π-bonded unsaturated hydrocarbons (olefin, cyclohexadienyl, cycloheptadienyl, cycloheptatrienyl) in cationic complexes of rhenium, iron, ruthenium and chromium provides a method for the introduction of organometallic fragments into the barbituric acid moiety. Substitution of the C-5-hydrogen atom gives the complexes 4–9. The dianions

  在rh，铁，钌和铬的阳离子络合物中将1,3,5-三甲基-2-硫代巴比妥酸1的阴离子加到π键合的不饱和烃（烯烃，环己二烯基，环庚二烯基，环庚三烯基）上提供了一种方法将有机金属片段引入巴比妥酸部分。C-5-氢原子的取代产生4–9的配合物。1,3-二甲基巴比妥酸2和1,3-二甲基-2-硫代巴比妥酸3的二价阴离子产生双金属配合物10-15。的结构10，11和13通过X射线衍射测定。由于保护了N原子，因此没有通过氢键进行自组装。该复合物可用作羰基金属免疫测定中巴比妥酸盐药物的共价标记。
• Polymerization initiator composition controlling polymerization at interface and curable composition containing same
  申请人：TERUMO KABUSHIKI KAISHA

  公开号：EP0480785A2

  公开（公告）日：1992-04-15

  A polymerization initiator composition controlling polymerization at interface, comprising a (thio)barbituric acid compound represented by the general formula I : wherein R1 is an alkyl group of 1 to 3 carbon atoms, R2 and R3 are independently hydrogen atom or an alkyl group of 1 to 3 carbon atoms, and X is oxygen atom or sulfur atom, and (a) a metal halide represented by the general formula, MYn wherein M is Cu or Fe, Y is halogen atom, and n is an integer of 2 when M is Cu or an integer of 3 when M is Fe, or (b) a halogen ion-forming compound and Mm-forming compound wherein M is Cu or Fe and m is 2+ when M is Cu or 3+ when M is Fe, and a curable composition comprising the (thio) barbituric acid and radically polymerizable monomer.

  一种控制界面聚合的聚合引发剂组合物，包括通式 I 所代表的(硫代)巴比妥酸化合物： 其中 R1 为 1 至 3 个碳原子的烷基，R2 和 R3 独立地为氢原子或 1 至 3 个碳原子的烷基，X 为氧原子或硫原子，以及 (a) 由通式 MYn 表示的金属卤化物 其中 M 为铜或铁，Y 为卤素原子、或 (b) 卤离子形成化合物和 Mm 形成化合物，其中 M 为 Cu 或 Fe，M 为 Cu 时为 2+，M 为 Fe 时为 3+，以及包含（硫代）巴比妥酸和可辐射聚合单体的可固化组合物。
• PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME
  申请人：SHOFU INC.

  公开号：EP0694298B1

  公开（公告）日：2010-06-09
• JPH04126703A
  申请人：——

  公开号：JPH04126703A

  公开（公告）日：1992-04-27
• SILICON ETCHING LIQUID, SILICON ETCHING METHOD, AND MICROELECTROMECHANICAL ELEMENT
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20150340241A1

  公开（公告）日：2015-11-26

  The present invention is able to provide: a silicon etching liquid which anisotropically dissolves single crystal silicon, and which is characterized by containing (1) potassium hydroxide or sodium hydroxide, (2) a hydroxyl amine and (3) a cyclic compound represented by general formula (I), which has a thiourea group and wherein N and N′ are linked; and a silicon etching method which uses this silicon etching liquid. (In general formula (I), Q represents an organic group having a saturated or unsaturated carbon-carbon bond.) By using the above-described silicon etching liquid, high etching rate can be achieved without lowering the etching rate of silicon and stability of the etching liquid is not impaired even in cases where copper is present in the etching liquid and/or where copper ions are dissolved in the etching liquid.