[(4-氟苯基)氨基](氧代)乙酸 | 69066-43-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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
• 中文名称: [(4-氟苯基)氨基](氧代)乙酸
• 中文别名: 2-[(4-氟苯基)氨基]-2-氧代-乙酸；2-[(4-氟苯基)氨基]-2-乙醛酸
• 英文名称: 2-((4-fluorophenyl)amino)-2-oxoacetic acid
• 英文别名: [(4-Fluorophenyl)amino](oxo)acetic acid；2-(4-fluoroanilino)-2-oxoacetic acid
• CAS: 69066-43-9
• 化学式: C₈H₆FNO₃
• mdl: MFCD09864524
• 分子量: 183.139
• InChiKey: PCRTTZBNPQBQCD-UHFFFAOYSA-N

物化性质

• 熔点：
  168-169 °C(Solv: ethanol (64-17-5))
• 密度：
  1.509±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P260,P264,P273,P301+P312,P305+P351+P338,P314
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H319,H372,H410
• 储存条件：
  储存温度应控制在2-8°C，需密封保存并在干燥处存放。

反应信息

• 作为反应物：
  描述：

  [(4-氟苯基)氨基](氧代)乙酸 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-fluoroanilino)-2-oxoacetyl chloride
  参考文献：
  名称：

  The design, synthesis and in vitro immunosuppressive evaluation of novel isobenzofuran derivatives

  摘要：

  The synthesis and biological evaluation of a series of novel isobenzofuran-based compounds are described. The compounds were evaluated for their immunosuppressive effects of T-cell proliferation and IMPDH type II inhibitor activity in vitro, as well as their structure-activity relationships were assessed. Several compounds demonstrated highly efficacious immunosuppressive properties, especially compounds 2d, 2e, 2h and 2j, which were superior to MPA, while compounds 2k, 2m, 2n, 4c and 5d exhibited an equipotent inhibitory activity compared to MPA. Generally, it was obviously demonstrated that alpha,beta-unsaturated amides proved more potent than the diamide and urea series. The present study provides a guide for further research on development of safe and effective immunosuppressive agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.078
• 作为产物：
  描述：

  methyl 4'-fluorooxanilate 在 lithium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 [(4-氟苯基)氨基](氧代)乙酸
  参考文献：
  名称：

  Oxamyl dipeptide caspase inhibitors developed for the treatment of stroke

  摘要：

  Structural modifications were made to a previously described acyl dipeptide caspase inhibitor, leading to the oxamyl dipeptide series. Subsequent SAR studies directed toward the warhead, P2, and P4 regions of this novel peptidomimetic are described herein. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.106

文献信息

• [EN] PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE<br/>[FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIDINE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CEPHALON INC

  公开号：WO2015100117A1

  公开（公告）日：2015-07-02

  The invention is directed to pyrazolo[1,5-a]pyridine derivatives and their use as AXL and c-MET kinase inhibitors.

  这项发明涉及吡唑并[1,5-a]吡啶衍生物及其作为AXL和c-MET激酶抑制剂的用途。
• Compounds for the Treatment of Hepatitis C
  申请人：Bristol-Myers Squibb Company

  公开号：US20130203758A1

  公开（公告）日：2013-08-08

  The disclosure provides compounds of formula I, including pharmaceutically acceptable salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  该披露提供了化合物I的公式，包括药用可接受的盐，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒（HCV）具有活性，并可能在治疗感染HCV的患者中有用。
• Silver-catalyzed direct C–H oxidative carbamoylation of quinolines with oxamic acids
  作者：Jin-Wei Yuan、Qian Chen、Chuang Li、Jun-Liang Zhu、Liang-Ru Yang、Shou-Ren Zhang、Pu Mao、Yong-Mei Xiao、Ling-Bo Qu

  DOI：10.1039/d0ob00358a

  日期：——

  A silver-catalyzed efficient and direct C-H carbamoylation of quinolines with oxamic acids to access carbamoylated quinolines has been developed through oxidative decarboxylation reaction. The reaction proceeds smoothly over a broad range of substrates with excellent functional group tolerance and excellent yields under mild conditions.

  通过氧化脱羧反应，已开发出一种银催化的喹啉与草酰胺酸的直接催化高效氨基甲酸酯化反应，以得到氨基甲酰化的喹啉。该反应在温和的条件下，可在各种底物上顺利进行，具有出色的官能团耐受性和出色的收率。
• Persulfate promoted tandem radical cyclization of ortho-cyanoarylacrylamides with oxamic acids for construction of carbamoyl quinoline-2,4-diones under metal-free conditions
  作者：Qing-Qing Han、Yuan-Yuan Sun、Shao-Hui Yang、Jing-Cheng Song、Zu-Li Wang

  DOI：10.1016/j.cclet.2021.04.019

  日期：2021.11

  An efficient and practical methods for the synthesis of carbamoyl quinoline-2,4-diones via the reaction of ortho-cyanoarylacrylamides with oxamic acids was described. This cyclic reaction could be performed efficiently under metal free conditions. Various products with functional groups could be obtained with moderate to high yields via radical mechanism.

  描述了一种通过邻-氰基芳基丙烯酰胺与草酸反应合成氨基甲酰基喹啉-2,4-二酮的有效且实用的方法。这种循环反应可以在无金属条件下有效地进行。通过自由基机理，可以以中高产率获得各种带有官能团的产物。
• Mononuclear lanthanide(<scp>iii</scp>)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties
  作者：Raphael C. A. Vaz、Isabela O. Esteves、Willian X. C. Oliveira、João Honorato、Felipe T. Martins、Lippy F. Marques、Guilherme L. dos Santos、Ricardo O. Freire、Larissa T. Jesus、Emerson F. Pedroso、Wallace C. Nunes、Miguel Julve、Cynthia L. M. Pereira

  DOI：10.1039/d0dt02497j

  日期：——

  occurrence of field-induced SMM behavior for the Gd3+ (2_Cl and 2_F), Dy3+ (3_Cl and 3_F), and Tb3+ complexes (4_Cl and 4_F). Solid-state photophysical measurements for the Eu3+ (1_Cl and 1_F) and Tb3+ complexes (4_Cl and 4_F) reveal that both monoprotonated chloro- and fluoro-substituted phenyl(oxamate) ligands are able to sensitize the lanthanide(III)-based luminescence in the visible region, through an

  在众所周知的单分子磁体（SMM）类中实现附加的光学（发光）特性被认为是获得下一代用于量子信息存储和计算的光磁材料的有前途的途径。在此，我们报道了两个新的通式为Bu 4 N [Ln III（HL）4（dmso）]· n H 2 O的镧系元素（III）配合物的新型光学和磁结构研究，其中H 2 L = X-Cl和n = 2的N-（4-X苯基）草酰胺酸[Ln = Eu（1_Cl），Gd（2_Cl），Dy（3_Cl）和Tb（4_Cl）]，X = F且n = 3 [Ln = Eu（1_F），Gd（2_F），Dy（3_F）和Tb（4_F）]。所有这些化合物都是单核物种，在低对称的九配位环境（LnO 9）中具有每个镧系元素（III）阳离子，该环境由四个二齿单质子化的草酸酯基和一个dmso分子组成。磁测量表明Gd 3+（2_Cl和2_F），Dy 3+（3_Cl和3_F）和Tb 3+络合物（4_Cl和4_F）