diethyl 1,3-bis(4-chlorophenyl)-1,2,3,6-tetrahydro-2-phenylpyrimidine-4,5-dicarboxylate | 1350895-26-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl 1,3-bis(4-chlorophenyl)-1,2,3,6-tetrahydro-2-phenylpyrimidine-4,5-dicarboxylate
• 英文别名: Diethyl 1,3-bis(4-chlorophenyl)-2-phenyl-2,4-dihydropyrimidine-5,6-dicarboxylate；diethyl 1,3-bis(4-chlorophenyl)-2-phenyl-2,4-dihydropyrimidine-5,6-dicarboxylate
• CAS: 1350895-26-9
• 化学式: C₂₈H₂₆Cl₂N₂O₄
• 分子量: 525.431
• InChiKey: ZQMLUSYFLSVGJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 苯甲醛 、 对氯苯胺 、 丁炔二酸二乙酯 在 溶剂黄146 、 尿素 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以50%的产率得到diethyl 1,3-bis(4-chlorophenyl)-1,2,3,6-tetrahydro-2-phenylpyrimidine-4,5-dicarboxylate
  参考文献：
  名称：

  一系列新的C-6未取代四氢嘧啶类化合物：便捷的一锅化学选择性合成，聚集诱导和尺寸无关的排放特征

  摘要：

  在温和的条件下，通过便利的尿素催化的化学选择性五组分反应（5CR）直接合成了一系列新的C-6未取代的四氢嘧啶6。化合物6具有典型的聚集诱导发射增强（AIEE）特性，因为它们在溶液中几乎不发光，但在聚集体中发出蓝色或绿色荧光，荧光产率高达93％。其中一个5CR产品，6个氨基酸，展品的蓝和绿荧光聚集体（BF-和GF-聚集体）。bf和gf聚集体是在不同条件下制备的，并且通过单晶X射线分析证明是由不同的J聚集体产生的。此外，6 aa的bf-和gf-聚合显示出不同寻常的尺寸无关发射（SIE）特性，因为它们在不同尺寸（悬浮颗粒，薄膜，粉末和晶体）中的最大发射波长分别相同，分别为434 nm和484 nm。根据获得的实验结果，讨论了5CR机理，AIEE的起源和SIE特性。

  DOI：

  10.1002/chem.201203012

文献信息

• PENTA-SUBSTITUTED TETRAHYDROPYRIMIDINES WITH AGGREGATION-INDUCED EMISSION CHARACTERISTICS AND PREPARATION METHOD AND USE THEREOF
  申请人：Zhu Qiuhua

  公开号：US20140051855A1

  公开（公告）日：2014-02-20

  The present invention provides a series of penta-substituted tetrahydropyrimidines with aggregation-induced emission (AIE) characteristics and preparation method and use thereof. The AIE penta-substituted tetrahydropyrimidines have structures shown as formula (I). R 1 is selected from a group consisting of linear or branched alkyls and substituted alkyls. R 2 and R 4 is respectively selected from a group consisting of linear or branched alkyls, substituted alkyls, cycloalkyls, substituted cycloalkyls, aryls, substituted aryls, polycyclic aryls, substituted polycyclic aryls, heterocyclyls, substituted heterocyclyls, aromatic heterocyclyls and substituted aromatic heterocyclyls. R 3 is selected from a group consisting of aryls, substituted aryls, polycyclic aryls, substituted polycyclic aryls, aromatic heterocyclyls and substituted aromatic heterocyclyls. The penta-substituted tetrahydropyrimidines can be prepared by multi-component reactions (MCR). There are 1˜3 aryls in the structure of the penta-substituted tetrahydropyrimidines. The penta-substituted tetrahydropyrimidines possess strong AIE properties and can be used for preparing organic electro-luminescence or photo-luminescence devices, or chemical and biological fluorescent sensors or probes.
• US8906927B2
  申请人：——

  公开号：US8906927B2

  公开（公告）日：2014-12-09
• [EN] AGGREGATION-INDUCING LUMINESCENT PENTA-SUBSTITUTED TETRAHYDROPYRIMIDINE AND USE THEREOF<br/>[FR] TÉTRAHYDROPYRIMIDINE PENTA-SUBSTITUÉ À LUMINESCENCE INDUISANT L'AGRÉGATION ET UTILISATION ASSOCIÉE
  申请人：UNIV SOUTHERN MEDICAL

  公开号：WO2012155516A1

  公开（公告）日：2012-11-22

  Disclosed are an aggregation-inducing luminescent penta-substituted tetrahydropyrimidine and preparation method and use thereof. The aggregation-inducing luminescent penta-substituted tetrahydropyrimidine has a structure represented by formula (I), wherein R1 is selected from a linear or branched alkyl or substituted alkyl; each of R2 and R4 is independently selected from a linear or branched alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, fused aryl, substituted fused aryl, heterocyclyl, substituted heterocyclyl, arylheterocyclyl or substituted arylheterocyclyl; R3 is selected from aryl, substituted aryl, fused aryl, substituted fused aryl, arylheterocyclyl or substituted arylheterocyclyl. The aggregation-inducing luminescent penta-substituted tetrahydropyrimidine may be prepared from reaction of multiple components. The penta-substituted tetrahydropyrimidine compound of the present invention has a structure containing 1 to 3 aryls, has a strong aggregation-inducing luminescence, and may be used for preparing an organic electroluminescent or photoluminescent device or a chemiluminescent and bioluminescent sensor and probe.
• A New Series of C-6 Unsubstituted Tetrahydropyrimidines: Convenient One-Pot Chemoselective Synthesis, Aggregation-Induced and Size-Independent Emission Characteristics
  作者：Qiuhua Zhu、Lan Huang、Zhipeng Chen、Sichao Zheng、Longyun Lv、Zhibo Zhu、Derong Cao、Huanfeng Jiang、Shuwen Liu

  DOI：10.1002/chem.201203012

  日期：2013.1.21

  A new series of C‐6 unsubstituted tetrahydropyrimidines 6 have been directly synthesized via a convenient urea‐catalyzed chemoselective five‐component reaction (5CR) under mild conditions. Compounds 6 show typical aggregation‐induced emission enhancement (AIEE) characteristics because they are practically no emissive in solution but emit blue or green fluorescence in aggregates with fluorescence yield

  在温和的条件下，通过便利的尿素催化的化学选择性五组分反应（5CR）直接合成了一系列新的C-6未取代的四氢嘧啶6。化合物6具有典型的聚集诱导发射增强（AIEE）特性，因为它们在溶液中几乎不发光，但在聚集体中发出蓝色或绿色荧光，荧光产率高达93％。其中一个5CR产品，6个氨基酸，展品的蓝和绿荧光聚集体（BF-和GF-聚集体）。bf和gf聚集体是在不同条件下制备的，并且通过单晶X射线分析证明是由不同的J聚集体产生的。此外，6 aa的bf-和gf-聚合显示出不同寻常的尺寸无关发射（SIE）特性，因为它们在不同尺寸（悬浮颗粒，薄膜，粉末和晶体）中的最大发射波长分别相同，分别为434 nm和484 nm。根据获得的实验结果，讨论了5CR机理，AIEE的起源和SIE特性。