2-imidazolidinone hemihydrate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-imidazolidinone hemihydrate
• 英文别名: N,N'-ethyleneurea hemihydrate；ethyleneurea semihydrate；(ethyleneurea)*0.5H2O；e-urea；e-urea*0.5H2O；Ethylene urea hemihydrate；imidazolidin-2-one;hydrate
• 化学式: C₃H₆N₂O*0H₂O
• 分子量: 95.1011
• InChiKey: VYXGDNJISSXLEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.53
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  42.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  terbium(III) nitrate hexahydrate 、 2-imidazolidinone hemihydrate 反应 192.0h， 以23%的产率得到[Tb(2-imidazolidinone)₈](NO₃)₃
  参考文献：
  名称：

  Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue

  摘要：

  两种单核化合物Ln(e-urea)8(NO3)3（Ln = Dy(1)和Tb(2)）是通过将乙烯脲（e-urea）用作有机配体和溶剂，通过尿热法合成的。e-urea配体具有单个供体原子，是配位镧系离子的独特配体，与通常观察到的具有合适配位空穴的多点配体或螯合有机配体截然不同。被八个e-urea配体包围的镧系离子中心处于近似D4d局部对称的正方反棱镜环境中。使用直流和交流磁化率测量对两种化合物的磁性质进行了详细研究。Dy(1)类似物表现出缓慢的磁弛豫行为，在2 kOe直流磁场中，磁弛豫的有效能垒为37.68 K，指数前因子τ0为1.47×10-9 s。

  DOI：

  10.1039/c3ce41762j

文献信息

• Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange
  作者：Cai-Hong Zhan、Fei Wang、Yao Kang、Jian Zhang

  DOI：10.1021/ic201986m

  日期：2012.1.2

  dicapped trigonal prism, pentagonal bipyramid, and tricapped trigonal prism coordination configurations, respectively, and the TDC ligands exhibit different coordination modes. Versatile helical substructures are presented in these compounds. The photoluminescent properties of compounds 3 (Eu) and 8 (Nd) were studied. Moreover, compound 8 can perform single-crystal-to-single-crystal guest exchange. The

  八个三维镧系噻吩-2,5-二羧酸酯骨架，[Ln（TDC）2 ]·（胆碱）（1 – 6； Ln = Gd，Nd，Eu，Er，Tb，Dy； TDC =噻吩-2 ，5-二羧酸盐），[Yb（TDC）2（e-脲）]·（胆碱）·H 2 O（7 ; e-脲=乙烯脲），[Nd 2（TDC）3（e-脲）4 ] ·3（e-脲）（8）分别在深共熔溶剂（氯化胆碱/ e-脲）中成功制备。化合物1 – 7是具有8连接bcu拓扑结构的阴离子骨架，而化合物8具有中性6连接的阴离子骨架带有客体尿素分子的rob型构架。在这些结构中，镧系离子分别显示了三棱柱状的三棱柱，五角双锥状和三棱柱状三棱柱的配位构型，而TDC配体表现出不同的配位方式。这些化合物中存在多种螺旋亚结构。研究了化合物3（Eu）和8（Nd）的光致发光特性。此外，化合物8可以进行单晶至单晶的客体交换。乙醇交换机理8可以归因于动力学控制的柔韧性（KCF）。
• Urothermal Synthesis of Crystalline Porous Materials
  作者：Jian Zhang、Julia T. Bu、Shumei Chen、Tao Wu、Shoutian Zheng、Yigang Chen、Ruben A. Nieto、Pingyun Feng、Xianhui Bu

  DOI：10.1002/anie.201003900

  日期：2010.11.15

  Pores from urea: Urea derivatives are shown to be a highly versatile solvent system for the synthesis of crystalline solids. In particular, reversible binding of urea derivatives to framework metal sites has been utilized to create a variety of materials that integrate both porosity and open metal sites (see picture).

  尿素孔隙：尿素衍生物被证明是用于合成结晶固体的高度通用的溶剂系统。特别是，尿素衍生物与骨架金属位点的可逆结合已被用来创建各种集成孔隙度和开放金属位点的材料（见图）。
• NON-ETHERIFIED REACTION PRODUCT OF A CYCLIC UREA AND A MULTIFUNCTIONAL ALDEHYDE
  申请人：Gupta Ram

  公开号：US20130217824A1

  公开（公告）日：2013-08-22

  The invention relates to a coating composition comprising a reaction product UA of at least one multifunctional aldehyde A with at least one cyclic urea U, and a crosslinkable resin having at least one kind of functional groups selected from the group consisting of hydroxyl functional groups, acid functional groups, amide functional groups, amino functional groups, imino functional groups, mercaptan functional groups, phosphine functional groups, and carbamate functional groups, characterised in that the degree of etherification, measured as the ratio <<(- 0 -R)/<<(U) of the amount of substance n(-O-R) of alkoxy groups as substituents of the aldehyde carbon atoms of the multifunctional aldehyde chemically bound in the reaction product UA to the amount of substance <<(U) of cyclic urea U chemically bound in the reaction products, is less than 0.01 mol/mol, and to a process for the preparation of the reaction product UA.

  本发明涉及一种涂层组合物，其包括至少一种多功能醛A与至少一种环状脲U的反应产物UA和至少具有羟基官能团、酸官能团、酰胺官能团、氨基官能团、亚氨基官能团、巯基官能团、膦官能团和氨基甲酸酯官能团中的一种官能团的可交联树脂，并且其特征在于醛多功能化合物的取代基的乙醚化程度，以<<(-0-R)/<<(U)的比率测量，即醛多功能化合物在反应产物UA中与环状脲U化学结合的烷氧基物质n(-O-R)的数量与反应产物中化学结合的环状脲U的物质<< (U)的数量之比小于0.01 mol/mol，以及制备反应产物UA的方法。
• Indazole Ureas and Method of Use
  申请人：AbbVie Inc.

  公开号：US20160075692A1

  公开（公告）日：2016-03-17

  Compounds of formula (I) and pharmaceutically acceptable salts, esters, amides, or radiolabelled forms thereof, wherein A, R 1 and R 2 are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by voltage-gated sodium channels, e.g., Na v 1.7 and/or Na v 1.8. Methods for making the compounds are disclosed. Also disclosed are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  式(I)的化合物及其药学上可接受的盐、酯、酰胺或放射性标记形式，其中A、R1和R2如规范所定义，可用于治疗由电压门控钠通道（例如Nav1.7和/或Nav1.8）预防或改善的病症或疾病。公开了制备这些化合物的方法。还公开了式(I)化合物的制药组合物以及使用这些化合物和组合物的方法。
• Urothermal in situ ligand synthesis to fabricate a metal-organic framework with (3,4)-connected tfi topology
  作者：Hui Yang、Tie hu Li、Yao Kang、Fei Wang

  DOI：10.1016/j.inoche.2011.07.009

  日期：2011.11

  A new 3D metal-organic framework [Cu(en)(ntd)](e-urea)(H2O) (1; en = 1.2-ethylenediamine, ntd = 1,4-Naphthalenedicarboxylic acid, e-urea = 2-imidazolidinone hemihydrate), has been synthesized by urothermal method. Structural analysis shows that compound 1 possesses unprecedented (3,4)-connected tfi topology. 2-imidazolidinone, one of the urea derivatives, plays multiple roles in the self-assembly of compound 1. (C) 2011 Elsevier B.V. All rights reserved.