2-Isocyanatobenzoic acid | 62763-85-3

• 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: 2-Isocyanatobenzoic acid
• CAS: 62763-85-3
• 化学式: C₈H₅NO₃
• 分子量: 163.133
• InChiKey: LEJHOVHEPUDNCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 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：
  66.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Isocyanatobenzoic acid 、 ethyl 3-ethoxy-7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitroquinoxaline-2-carboxylate 在 三乙胺 作用下， 生成 7-[4-(2-Carboxy-phenylcarbamoyloxymethyl)-imidazol-1-yl]-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and AMPA receptor antagonistic activity of a novel class of quinoxalinecarboxylic acid with a substituted phenyl group at the C-7 position

  摘要：

  The synthesis and biological properties of a novel class of 7-heterocycle-substituted quinoxalinecarboxylic acids, which bear a substituted phenyl group through a urethane linkage at the C-7 position, are described. One of the synthesized compounds, 151, which has a 4-carboxyphenyl carbamoyloxymethyl imidazole group at the C-7 position and is water-soluble, was found to possess high potency in vitro and showed excellent neuroprotective efficacy in vivo. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00740-6
• 作为产物：
  描述：

  二氧化碳 、 异氰酸-2-碘苯酯 以 乙腈 为溶剂， 以69%的产率得到2-Isocyanatobenzoic acid
  参考文献：
  名称：

  2-碘芳香族化合物的电化学羧化

  摘要：

  摘要 在二氧化碳的大气压下，乙腈中一系列 2-碘代芳族取代化合物的电化学还原产生邻位取代的芳族羧酸。通过在低温（5°C）下使用牺牲镁阳极和使用低电流密度在无隔膜电解槽中电解获得的酸的最大产率略高于 70%。

  DOI：

  10.1081/scc-200025608

文献信息

• [EN] PROCESS FOR PREPARING ANTHRANILAMIDE ESTERS AND DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ESTERS ET DE DÉRIVÉS D'ANTHRANILAMIDE
  申请人：BASF SE

  公开号：WO2015162260A1

  公开（公告）日：2015-10-29

  The present invention relates to a process for preparing N-pyridylpyrazole carboxanilides carrying a sulfiminocarbonyl group in the ortho position with respect to the amide group, which are represented by formula (I), the process comprising reacting a N-pyridylpyrazole carbooxanilide precursor of formula (II) or (II*) with a sulfimine of formula (III) or a salt thereof. Moreover, the present invention relates to a process for preparing N-pyridylpyrazole carbooxanilide precursors of formula (II) by reacting a compound of formula (IV) with a compound of formula (V). Furthermore, the present invention relates to N-pyridylpyrazole carbooxanilide precursors of formulae (II.A'), (II*.A'), (II.A'') and (II*.A'').

  本发明涉及一种制备携带与酰胺基相对位置上的磺酰亚胺羰基的N-吡啶基吡唑羧酰胺的过程，其由式(I)所代表，所述过程包括将式(II)或(II*)的N-吡啶基吡唑羧酰胺前体与式(III)的磺酰亚胺或其盐反应。此外，本发明涉及一种通过将式(IV)的化合物与式(V)的化合物反应制备式(II)的N-吡啶基吡唑羧酰胺前体的过程。此外，本发明涉及式(I.A')、(II*.A')、(II.A'')和(II*.A'')的N-吡啶基吡唑羧酰胺前体。
• [EN] INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE<br/>[FR] DÉRIVÉS D'INDOLINONE UTILISÉS COMME INHIBITEURS DE LA KINASE DE TYPE FERMETURE ÉCLAIR À LEUCINE EMBRYONNAIRE MATERNELLE
  申请人：UNIV TEXAS

  公开号：WO2018160967A1

  公开（公告）日：2018-09-07

  The present disclosure relates to indolinone compounds, compositions, and methods for the inhibition of maternal embryonic leucine zipper kinase (MELK). The present disclosure further relates to indolinone compounds, compositions, and methods for the treatment or prevention of a cancer (for example, triple negative breast cancer).

  本公开涉及吲哚啉酮化合物、组合物和用于抑制母胎型亮氨酸螺旋蛋白激酶（MELK）的方法。本公开进一步涉及吲哚啉酮化合物、组合物和用于治疗或预防癌症（例如三阴性乳腺癌）的方法。
• [EN] SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXOACÉTYL PIPÉRAZINAMIDE À SUBSTITUTION INDOLE ET AZAINDOLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012019003A1

  公开（公告）日：2012-02-09

  Compounds having drug and bio-affecting properties are described herein, including their properties, pharmaceutical compositions and methods of use. In particular, tricyclic aryl or heteroaryl piperazine diamide derivatives that possess unique antiviral activity are set forth. These compounds are useful for the treatment of HIV and AIDS. The compounds herein have the general Formula I:(Formula I should be inserted here) wherein: Y is selected from the group of indole or azaindole systems:(Formula Y should be inserted here) and Z is selected from the group of:(Formula Z should be inserted here)

  本文描述了具有药物和生物影响特性的化合物，包括它们的特性、制药组合物和使用方法。特别地，本文提出了具有独特抗病毒活性的三环芳基或杂芳基哌嗪二酰胺衍生物。这些化合物对于治疗艾滋病毒和艾滋病非常有用。本文中的化合物具有一般公式I：(应在此处插入公式I) 其中：Y选自吲哚或氮杂吲哚系统的群体中：(应在此处插入公式Y) 而Z选自以下群体中：(应在此处插入公式Z)
• Compositions for repelling crawling insects
  申请人：——

  公开号：US20020094993A1

  公开（公告）日：2002-07-18

  The present invention relates to novel compositions, comprising a repellent and an additive, where the additive is selected from the group consisting of phenol, benzaldehyde, benzoic acid or derivatives thereof and is present in a ratio of from 10:100 to 200:100% by weight to the repellent, and to their use for repelling crawling harmful insects, in particular ants or cockroaches.

  本发明涉及新型组合物，包括一种驱虫剂和一种添加剂，其中所述添加剂选自苯酚、苯甲醛、苯甲酸或其衍生物组成的群体，并以10:100至200:100％重量的比例存在于驱虫剂中，以及其用于驱赶爬行有害昆虫，特别是蚂蚁或蟑螂。
• Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents
  申请人：Ozawa Yoichi

  公开号：US20060004131A1

  公开（公告）日：2006-01-05

  A functionalized polymer prepared by a process comprising the steps of preparing a pseudo-living polymer by polymerizing conjugated monomer with a lanthanide-based catalyst, and reacting the pseudo-living polymer with a functionalizing agent defined by the formula (I) A-R 1 -Z  (I) where R 1 is a divalent bond or divalent organic group comprising from 0 to about 20 carbon atoms, A is a substituent that will undergo an addition reaction with a pseudo-living polymer, and Z is a substituent that will react or interact with silica or carbon black reinforcing fillers, with the proviso that A, R 1 , and Z are substituents that will not protonate a pseudo-living polymer.

  一种功能化聚合物，其制备方法包括以下步骤：用镧系催化剂聚合共轭单体，制备假活 性聚合物，并使假活性聚合物与由式（I）定义的功能化剂反应 A-R 1 -Z (I) 其中 R 1 是二价键或由 0 至约 20 个碳原子组成的二价有机基团，A 是会与假活聚合物发生加成反应的取代基，Z 是会与二氧化硅或炭黑增强填料发生反应或相互作用的取代基，但 A、R 1 和 Z 是不会使假生命聚合物发生质子化反应的取代基。