[2]naphthyl-oxalamic acid ethyl ester | 23949-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [2]naphthyl-oxalamic acid ethyl ester
• 英文别名: ethyl 2-(naphthalen-2-ylamino)-2-oxoacetate；ethyl[(naphthalen-2-yl)carbamoyl]formate；Oxalsaeure-aethylester-β-naphthylamid；β-Naphthyl-oxamidsaeure-aethylester；[2]Naphthyl-oxalamidsaeure-aethylester；(2-Naphthyl)oxamic acid ethyl ester；Ethyl [(naphthalen-2-yl)carbamoyl]formate
• CAS: 23949-73-7
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: JMLSOLASIDZFTF-UHFFFAOYSA-N

物化性质

• 熔点：
  119-120 °C
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2]naphthyl-oxalamic acid ethyl ester 在 氨 、 水 作用下， 生成 N1-(naphthalen-2-yl)oxalamide
  参考文献：
  名称：

  Meyer,R.; Mueller, Chemische Berichte, 1897, vol. 30, p. 772

  摘要：

  DOI：
• 作为产物：
  描述：

  草酰氯单乙酯 、 2-萘胺 在 吡啶 作用下， 生成 [2]naphthyl-oxalamic acid ethyl ester
  参考文献：
  名称：

  草酸，一系列口服活性抗过敏药。

  摘要：

  制备了大量的草酸苯甲酸酯和N-杂芳基草酰胺酸酯，并通过大鼠被动皮肤过敏反应（PCA）测试发现具有抗过敏活性。许多草酰苯甲酸酯具有口服活性，最活泼的物种具有芳基2'-氨基甲酰基和3'-甲氧基。酯从草酰胺酯部分水解会导致口服活性下降。

  DOI：

  10.1021/jm00243a014

文献信息

• ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF
  申请人：Meng Charles Q.

  公开号：US20140142114A1

  公开（公告）日：2014-05-22

  The present invention relates to novel anthelmintic compounds of formula (I) below: wherein Y and Z are independently a bicyclic carbocyclic or a bicyclic heterocyclic group, or one of Y or Z is a bicyclic carbocyclic or a bicyclic heterocyclic group and the other of Y or Z is alkyl, alkenyl, alkynyl, cycloalkyl, phenyl, heterocyclyl or heteroaryl, and variables X 1 , X 2 , X 3 , X 4 , X 5 , X 6 , X 7 and X 8 are as defined herein. The invention also provides for veterinary compositions comprising the anthelmintic compounds of the invention, and their uses for the treatment and prevention of parasitic infections in animals.

  本发明涉及以下式（I）的新型驱虫化合物： 其中 Y和Z分别是双环碳环或双环杂环基团，或者Y或Z中的一个是双环碳环或双环杂环基团，另一个是烷基，烯基，炔基，环烷基，苯基，杂环基或杂芳基，以及变量X 1 ，X 2 ，X 3 ，X 4 ，X 5 ，X 6 ，X 7 和X 8 如本文所定义。本发明还提供了包含本发明的驱虫化合物的兽药组合物，以及它们用于治疗和预防动物寄生虫感染的用途。
• Oxidation-induced ortho-selective C–H bond functionalization of 2-naphthylamine derivative
  作者：Dongchao Zhang、Zhiliang Huang、Aiwen Lei

  DOI：10.1007/s11426-018-9218-5

  日期：2018.10

  Selective C–H bond functionalization has been emerged as a versatile strategy for the construction of new chemical bonds. In the past decades, the directing group (DG)-assisted C–H bond activation has been developed as one of the most efficient methods for selective C–H functionalization. Although a great progress has been made by utilizing this traditional method, developing new strategy for selective C–H bond functionalization is still highly demanded. Hence, a novel oxidation-induced C–H bond functionalization method was demonstrated in this work. By this new method, ortho-C(sp2)–H chlorination of N-substituted 2-naphthylamine was realized in a highly selective manner.

  选择性 C-H 键官能化已成为构建新化学键的一种多功能策略。在过去的几十年中，定向基团（DG）辅助的 C-H 键活化已被开发为选择性 C-H 功能化最有效的方法之一。尽管利用这种传统方法已经取得了巨大进步，但开发选择性 C-H 键官能化的新策略仍有很大需求。因此，本研究展示了一种新型的氧化诱导 C-H 键官能化方法。通过这种新方法，高选择性地实现了 N-取代的 2-萘胺的正交-C(sp2)-H 氯化。
• Anthelmintic compounds and compositions and method of using thereof
  申请人：MERIAL INC.

  公开号：US09249102B2

  公开（公告）日：2016-02-02

  The present invention relates to novel anthelmintic compounds of formula (I) below: wherein Y and Z are independently a bicyclic carbocyclic or a bicyclic heterocyclic group, or one of Y or Z is a bicyclic carbocyclic or a bicyclic heterocyclic group and the other of Y or Z is alkyl, alkenyl, alkynyl, cycloalkyl, phenyl, heterocyclyl or heteroaryl, and variables X1, X2, X3, X4, X5, X6, X7 and X8 are as defined herein. The invention also provides for veterinary compositions comprising the anthelmintic compounds of the invention, and their uses for the treatment and prevention of parasitic infections in animals.

  本发明涉及以下式子(I)的新型驱虫化合物： 其中Y和Z分别是双环碳环或双环杂环基团，或其中一个为双环碳环或双环杂环基团，另一个为烷基，烯基，炔基，环烷基，苯基，杂环基或杂环芳基；变量X1，X2，X3，X4，X5，X6，X7和X8如定义所述。本发明还提供包含本发明的驱虫化合物的兽医组合物，并且它们用于治疗和预防动物寄生虫感染。
• Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening
  作者：Judith M. LaLonde、Mark A. Elban、Joel R. Courter、Akihiro Sugawara、Takahiro Soeta、Navid Madani、Amy M. Princiotto、Young Do Kwon、Peter D. Kwong、Arne Schön、Ernesto Freire、Joseph Sodroski、Amos B. Smith

  DOI：10.1016/j.bmc.2010.11.049

  日期：2011.1

  The low-molecular-weight compound JRC-II-191 inhibits infection of HIV-1 by blocking the binding of the HIV-1 envelope glycoprotein gp120 to the CD4 receptor and is therefore an important lead in the development of a potent viral entry inhibitor. Reported here is the use of two orthogonal screening methods, GOLD docking and ROCS shape-based similarity searching, to identify amine-building blocks that, when conjugated to the core scaffold, yield novel analogs that maintain similar affinity for gp120. Use of this computational approach to expand SAR produced analogs of equal inhibitory activity but with diverse capacity to enhance viral infection. The novel analogs provide additional lead scaffolds for the development of HIV-1 entry inhibitors that employ protein-ligand interactions in the vestibule of gp120 Phe 43 cavity. (C) 2010 Elsevier Ltd. All rights reserved.
• Pickard; Carter, Journal of the Chemical Society, 1901, vol. 79, p. 844
  作者：Pickard、Carter

  DOI：——

  日期：——