methyl 4-[(2-hydroxybenzoyl)carbamoyl]benzoate | 1257227-90-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-[(2-hydroxybenzoyl)carbamoyl]benzoate
• 英文别名: JS-2-34
• CAS: 1257227-90-9
• 化学式: C₁₆H₁₃NO₅
• 分子量: 299.283
• InChiKey: JKRAALJWKDHXQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-[(2-hydroxybenzoyl)carbamoyl]benzoate 在 硫酸 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以97%的产率得到Methyl 4-(4-oxo-1,3-benzoxazin-2-yl)benzoate
  参考文献：
  名称：

  NEW TRIAZINE DERIVATIVE, ULTRAVIOLET ABSORBER, AND RESIN COMPOSITION

  摘要：

  公开号：

  EP2460799B1
• 作为产物：
  描述：

  4-氯甲酰基苯甲酸甲酯 、 水杨酰胺 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以98%的产率得到methyl 4-[(2-hydroxybenzoyl)carbamoyl]benzoate
  参考文献：
  名称：

  NEW TRIAZINE DERIVATIVE, ULTRAVIOLET ABSORBER, AND RESIN COMPOSITION

  摘要：

  公开号：

  EP2460799B1

文献信息

• Ultraviolet absorber composition and resin composition stabilized with the absorber composition
  申请人：Fujifilm Corporation

  公开号：EP2267067A1

  公开（公告）日：2010-12-29

  An ultraviolet absorber composition is provided and includes: a compound represented by formula (I); and an ultraviolet absorber having a maximum absorption at a wavelength of from 340 to 400 nm: R1a, R1b, R1c, R1d, R1e, R1f, R1g, R1h, R1i, and R1j each independently represent a hydrogen atom or a monovalent substituent except OH, or adjacent two of R1a, R1b, R1c, R1d, R1e, R1f, R1g, R1h, R1i, and R1j may be taken together to form a ring; R1k, R1m, R1n, and R1p each independently represent a hydrogen atom or a monovalent substituent, or adjacent two of R1k, R1m, R1n, and R1p may be taken together to form a ring; and at least one of R1a, R1b, R1c, R1d, R1e, R1f, R1g, R1h, R1i, R1j, R1k, R1m, R1n, and R1p is a substituent having a positive σp value in Hammett equation.

  提供了一种紫外线吸收剂组合物，其中包括：一种由式 (I) 代表的化合物；以及一种紫外线吸收剂，其最大吸收波长为 340 至 400 纳米： R1a、R1b、R1c、R1d、R1e、R1f、R1g、R1h、R1i 和 R1j 各自独立地代表氢原子或除 OH 以外的单价取代基，或 R1a、R1b、R1c、R1d、R1e、R1f、R1g、R1h、R1i 和 R1j 中的相邻两个可结合在一起形成一个环；R1k、R1m、R1n 和 R1p 各自独立地代表一个氢原子或一个一价取代基，或 R1k、R1m、R1n 和 R1p 中相邻的两个可结合在一起形成一个环；且 R1a、R1b、R1c、R1d、R1e、R1f、R1g、R1h、R1i、R1j、R1k、R1m、R1n 和 R1p 中至少有一个是在哈密方程中具有正 σp 值的取代基。
• Synthesis, Biological Evaluation, and Structure–Activity Relationships of <i>N</i>-Benzoyl-2-hydroxybenzamides as Agents Active against P. falciparum (K1 strain), Trypanosomes, and Leishmania
  作者：Jozef Stec、Qingqing Huang、Marco Pieroni、Marcel Kaiser、Alina Fomovska、Ernest Mui、William H. Witola、Samuel Bettis、Rima McLeod、Reto Brun、Alan P. Kozikowski

  DOI：10.1021/jm2015183

  日期：2012.4.12

  In our efforts to identify novel chemical scaffolds for the development of new antiprotozoal drugs, a compound library was screened against Toxoplasma gondii tachyzoites with activity discovered for N-(4-ethylbenzoyl)-2-hydroxybenzamide la against T. gondii as described elsewhere. Synthesis of a compound set was guided by T. gondii SAR with 1r found to be superior for T. gondii, also active against Thai and Sierra Leone strains of Plasmodium falciparum, and with superior ADMET properties as described elsewhere. Herein, synthesis methods and details of the chemical analysis of the compounds in this series are described. Further, this series of N-benzoyl-2-hydroxybenzamides was repurposed for testing against four other protozoan parasites: Trypanosoma brucei rhodesiense, Trypanosoma cruzi, Leishmania donovani, and P. falciparum (K1 isolate). Structure-activity analyses led to the identification of compounds in this set with excellent antileishmanial activity (compound 1d). Overall, compound 1r was the best and had activity 21-fold superior to that of the standard antimalarial drug chloroquine against the K1 P. falciparum isolate.
• NOVEL TRIAZINE DERIVATIVE, ULTRAVIOLET ABSORBER, AND RESIN COMPOSITION
  申请人：AMASAKI Ichiro

  公开号：US20100311877A1

  公开（公告）日：2010-12-09

  A compound is provided and is represented by the following formula (1): R 1a , R 1b , R 1c , R 1d , and R 1e each independently represents a hydrogen atom or a monovalent substituent other than OH with a proviso that at least one substituent has a positive σp value in Hammett equation and substituents may be coupled to each other to form a ring; R 1f , R 1g , R 1h , R 1i , and R 1j each independently represents a hydrogen atom or a monovalent substituent other than OH with a proviso that substituents may be coupled to each other to form a ring; and R 1k , R 1m , R 1n , and R 1p each independently represents a hydrogen atom or a monovalent substituent with a proviso that substituents may be coupled to each other to form a ring.
• ULTRAVIOLET ABSORBER COMPOSITION AND RESIN COMPOSITION
  申请人：AMASAKI Ichiro

  公开号：US20100324181A1

  公开（公告）日：2010-12-23

  An ultraviolet absorber composition is provided and includes: a compound represented by formula (I); and an ultraviolet absorber having a maximum absorption at a wavelength of from 340 to 400 nm: R 1a , R 1b , R 1c , R 1d , R 1e , R 1f , R 1g , R 1h , R 1i , and R 1j each independently represent a hydrogen atom or a monovalent substituent except OH, or adjacent two of R 1a , R 1b , R 1c , R 1d , R 1e , R 1f , R 1g , R 1h , R 1i , and R 1j may be taken together to form a ring; R 1k , R 1m , R 1n , and R 1p each independently represent a hydrogen atom or a monovalent substituent, or adjacent two of R 1k , R 1m , R 1n , and R 1p may be taken together to form a ring; and at least one of R 1a , R 1b , R 1c , R 1d , R 1c , R 1f , R 1g , R 1h , R 1i , R 1j , R 1k , R 1m , R 1n , and R 1p is a substituent having a positive σp value in Hammett equation.
• POLYCARBONATE RESIN COMPOSITION CONTAINING TRIAZINE COMPOUND AND MOLDED ARTICLE USING THE SAME
  申请人：Amasaki Ichiro

  公开号：US20110077330A1

  公开（公告）日：2011-03-31

  A polycarbonate resin composition containing a compound represented by the following formula (1): wherein each of R 1a , R 1b , R 1c , R 1d and R 1e independently represents a hydrogen atom or a monovalent substituent excluding —OH, at least one of the substituents represents a substituent having a positive Hammett's σp value, and the substituents may be combined each other to form a ring; each of R 1f , R 1g , R 1h , R 1i and R 1j independently represents a hydrogen atom or a monovalent substituent excluding —OH, and the substituents may be combined each other to form a ring; and each of R 1k , R 1m , R 1n and R 1p independently represents a hydrogen atom or a monovalent substituent, and the substituents may be combined each other to form a ring.