2-chloro-1H-perimidine | 30837-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类 - 二氮杂萘
• 英文名称: 2-chloro-1H-perimidine
• 英文别名: 2-chloroperimidine；2-chloro-1H-perimidine；2-Chlor-1H-perimidin；2-Chlorperimidin
• CAS: 30837-50-4
• 化学式: C₁₁H₇ClN₂
• 分子量: 202.643
• InChiKey: TWEGKOWCJNQSMS-UHFFFAOYSA-N

物化性质

• 沸点：
  390.6±25.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-chloro-1H-perimidine 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 生成 2-hydrazino-1H-perimidine
  参考文献：
  名称：

  含三唑的嘧啶衍生物的设计，合成，抗炎活性和分子对接研究

  摘要：

  我们在这里报告了一系列含有三唑的perimidine衍生物的设计，合成和抗炎活性（5a–s）。已基于IR，1 H NMR，13 C NMR和HRMS光谱分析指定了合成化合物的化学结构。在脂多糖（LPS）刺激的炎症模型中评估了合成的perimidine衍生物的抗炎特性。在供试化合物，化合物7-（3-甲基苄基）-7- ħ - [1,2,4]三唑并[4,3一]啶（以下简称为5H）和化合物7-（2-氟苄基） - 7 H- [1,2,4]三唑[4,3- a] perimidine（以下称为5n）导致RAW264.7细胞中促炎性细胞因子-肿瘤坏死因子（TNF）-α和白介素（IL）-6的水平降低。还在体内评估了化合物5h和5n的抗炎潜力在二甲苯诱发的耳朵发炎模型中 化合物5n以50 mg / kg的剂量显示出最有效的抗炎活性，抑制率为49.26％。该活性比参考药物布洛芬（28.13％）更强，但比吲哚美辛（49

  DOI：

  10.1016/j.bmcl.2017.08.014
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯氧磷 作用下， 生成 2-chloro-1H-perimidine
  参考文献：
  名称：

  Sachs, Justus Liebigs Annalen der Chemie, 1909, vol. 365, p. 162

  摘要：

  DOI：

文献信息

• 13C and1H NMR studies of structure and tautomerism in some perimidines
  作者：P. D. Woodgate、J. M. Herbert、W. A. Denny

  DOI：10.1002/mrc.1260260304

  日期：1988.3

  The 13C NMR spectra of some 1- and 2-substituted perimidines and perimidinium salts are discussed and assigned. Although the spectra of most of the 2-substituted perimidines are comparatively simple, several examples display 13C and 1H spectral characteristics indicative of inhibition of prototropic tautomerism.

  讨论并归属了一些1-和2-取代嘧啶及其嘧啶盐的13C NMR谱。虽然大部分2-取代嘧啶的谱图相对简单，但有多个例子显示出13C和1H谱特征，表明质子互变异构受到抑制。
• ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20190263849A1

  公开（公告）日：2019-08-29

  Provided are an organometallic compound, an organic light-emitting device including the organometallic compound, and an organic light-emitting apparatus including the organic light-emitting device. The organometallic compound has the structure M(L 1 ) n1 (L 2 ) n2 , wherein M is a transition metal, L1 is a ligand represented by the following structure: wherein n1 is 1, 2, or 3, and when n1 is two or more, two or more L 1 (s) are identical to or different from each other, L 2 is an organic ligand, and n2 is 0, 1, or 2, and when n2 is two or more, two or more L 2 (s) are identical to or different from each other. The sum of n1 and n2 is 2 or 3. More details about Formula 2 is provided in the disclosure.

  提供了一种有机金属化合物、包括该有机金属化合物的有机发光器件，以及包括该有机发光器件的有机发光装置。该有机金属化合物具有结构M(L1)n1(L2)n2，其中M是过渡金属，L1是由以下结构表示的配体：其中n1为1、2或3，当n1为两个或更多时，两个或更多的L1是相同的或不同的，L2是有机配体，n2为0、1或2，当n2为两个或更多时，两个或更多的L2是相同的或不同的。n1和n2的总和为2或3。有关公式2的更多细节在披露中提供。
• Organic compound and organic light emitting device using the same
  申请人：Kim Kyeom Kong

  公开号：US20050123800A1

  公开（公告）日：2005-06-09

  Disclosed is a compound represented by formula 1: [formula 1 ] wherein each of A, X, Y, Y′ and Y″ has the same meaning as described herein. When used in an organic light emitting device, the compound represented by formula 1 has at least one function selected from the group consisting of hole injection, hole transport, light emitting, electron transport, electron injection, etc., depending on the type of each unit forming the trimer or substituents in each unit. An organic light emitting device is also disclosed. The organic light emitting device includes a first electrode, an organic film having one or more layers and a second electrode, laminated successively, wherein at least one layer of the organic film includes at least one compound represented by formula 1.

  揭示了一种由公式1表示的化合物：[formula1]其中A、X、Y、Y'和Y''中的每个都具有与此处描述的相同含义。当在有机发光器件中使用时，由公式1表示的化合物具有至少一种功能，从包括空穴注入、空穴传输、发光、电子传输、电子注入等的组中选择，取决于形成三聚物的每个单元或每个单元中的取代基的类型。还公开了一种有机发光器件。该有机发光器件包括依次层叠的第一电极、具有一个或多个层的有机膜和第二电极，其中有机膜的至少一层包括至少一种由公式1表示的化合物。
• Fragment based search for small molecule inhibitors of HIV-1 Tat-TAR
  作者：Mirco Zeiger、Sebastian Stark、Elisabeth Kalden、Bettina Ackermann、Jan Ferner、Ute Scheffer、Fatemeh Shoja-Bazargani、Veysel Erdel、Harald Schwalbe、Michael W. Göbel

  DOI：10.1016/j.bmcl.2014.11.004

  日期：2014.12

  Basic molecular building blocks such as benzene rings, amidines, guanidines, and amino groups have been combined in a systematic way to generate ligand candidates for HIV-1 TAR RNA. Ranking of the resulting compounds was achieved in a fluorimetric Tat-TAR competition assay. Although simple molecules such as phenylguanidine are inactive, few iteration steps led to a set of ligands with IC50 values ranging from 40 to 150 mu M. 1,7-Diaminoisoquinoline 17 and 2,4,6-triaminoquinazoline 22 have been further characterized by NMR titrations with TAR RNA. Compound 22 is bound to TAR at two high affinity sites and shows slow exchange between the free ligand and the RNA complex. These results encourage investigations of dimeric ligands built from two copies of compound 22 or related heterocycles. (C) 2014 Elsevier Ltd. All rights reserved.
• Electronic structure of heterospirenes. PE spectroscopic investigations
  作者：Rolf Gleiter、Joachim Uschmann

  DOI：10.1021/jo00353a019

  日期：1986.2