2-Methyl-4-nitrobenzoate

• 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-Methyl-4-nitrobenzoate
• 化学式: C8H6NO4-
• 分子量: 180.14
• InChiKey: XXXOBNJIIZQSPT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY
  申请人：President and Fellows of Harvard College

  公开号：US20180209985A1

  公开（公告）日：2018-07-26

  In some embodiments, a mass spectrometry tag may comprise a linker region, a mass balance region, and a reporter region. The mass spectrometry tag may be configured to fragment in a mass spectrometer via an energy dependent process to produce multiple reporter molecules. For example, the reporter region of the tag may be configured to produce at least two reporter molecules via fragmentation. In some embodiments, one or more regions of the tag may comprise at least one heavy isotope. In some such embodiments, the ability to fragment into multiple reporter molecules as well as the placement and/or number of heavy isotope(s) allows the mass spectrometry tag to be distinguished from other similar mass spectrometry tags. In some such embodiments, the ability to distinguish between tags having the same or substantially similar total mass to charge ratio and reporter region mass may allow the system to have a greater multiplexing capacity than conventional systems.

  在某些实施例中，质谱标签可能包括一个连接区、一个质量平衡区和一个报告区。质谱标签可能被配置为在质谱仪中通过一个能量依赖的过程进行碎裂，以产生多个报告分子。例如，标签的报告区可能被配置为通过碎裂产生至少两个报告分子。在某些实施例中，标签的一个或多个区域可能包含至少一个重同位素。在某些这样的实施例中，能够碎裂成多个报告分子以及重同位素的位置和/或数量允许将质谱标签与其他类似的质谱标签区分开来。在某些这样的实施例中，能够区分具有相同或基本相似总质荷比和报告区质量的标签，可能使系统具有比传统系统更大的多重复用能力。
• [EN] PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV<br/>[FR] PROCÉDÉS ET INTERMÉDIAIRES DE PRÉPARATION D'UN INHIBITEUR DE PROTÉASE MACROCYCLIQUE DE HCV
  申请人：ORTHO MCNEIL JANSSEN PHARM

  公开号：WO2011113859A1

  公开（公告）日：2011-09-22

  A process for preparing [(1R,2R)-4-oxo-1,2-cyclopentanedicarboxylic acid II, by the resolution of racemic 4-oxo-1,2-cyclopentanedicarboxylic acid (V), said process comprising: (a) reacting 4-oxo-1,2-cyclopentanedicarboxylic acid (V) with brucine or (1R,2S)-(-)- ephedrine, thus preparing the bis-brucine or bis-(1R,2S)-(-)-ephedrine salt of (V), and (b) precipitating selectively the bis-brucine or bis-(1R,2S)-(-)-ephedrine salt of (1R,2R)-4-oxo-1,2-cyclopentanedicarboxylic acid II, while the bis-brucine or bis- (1R,2S)-(-)-ephedrine salt of [(1S,2S)-4-oxo-1,2-cyclopentanedicarboxylic acid stays in solution; (c) liberating the acid II by removal of brucine or (1R,2S)-(-)-ephedrine from the precipitated salt obtained in step (b).

  一种制备[(1R,2R)-4-氧代-1,2-环戊二羧酸II的方法，通过拆分外消旋4-氧代-1,2-环戊二羧酸(V)来实现，所述方法包括：(a)将4-氧代-1,2-环戊二羧酸(V)与布鲁辛或(1R,2S)-(-)-麻黄碱反应，从而制备(V)的双布鲁辛盐或双(1R,2S)-(-)-麻黄碱盐，并(b)在(V)的双布鲁辛盐或双(1R,2S)-(-)-麻黄碱盐中选择性地沉淀[(1R,2R)-4-氧代-1,2-环戊二羧酸II的盐，同时(V)的双布鲁辛盐或双(1R,2S)-(-)-麻黄碱盐保持在溶液中；(c)通过从步骤(b)中得到的沉淀盐中去除布鲁辛或(1R,2S)-(-)-麻黄碱来释放酸II。
• [EN] PHOSPHORANES AS COUPLING AGENTS AND THEIR PREPARATION<br/>[FR] PHOSPHORANES UTILISES EN TANT QU'AGENTS COUPLEURS ET LEUR PREPARATION
  申请人：CYTEC CANADA INC

  公开号：WO2004000778A1

  公开（公告）日：2003-12-31

  Provided is a use as a coupling agent for condensation reactions of a compound of formula (I): wherein each of R1, R2, and R3 is independently H, hydrocarbyl, or hydrocarbyloxy, provided that not more than one of R1, R2, and R3 is H ; and at least one of Y1 and Y2 is an electron-withdrawing group and the other, if not an electron-withdrawing group, is H or a group that has no electron-donating properties, with the proviso that when one of Y1 and Y2 is H, the other is not -CN. Some of the compounds of formula (I) are novel, and methods of their preparation are also provided.

  提供的是一种用作缩聚反应的偶联剂的用途，其中化合物的结构式为（I）：其中R1、R2和R3中的每一个独立地是H、烃基或烃氧基，前提是R1、R2和R3中不超过一个是H；而且Y1和Y2中至少一个是电子吸引基团，另一个，如果不是电子吸引基团，则是H或者具有无电子给予性质的基团，但是当Y1和Y2中的一个是H时，另一个不是-CN。其中一些具有结构式（I）的化合物是新颖的，同时还提供了它们的制备方法。
• INCLUSION COMPLEX CONTAINING EPOXY RESIN COMPOSITION FOR SEMICONDUCTOR ENCAPSULATION
  申请人：Ono Kazuo

  公开号：US20100179250A1

  公开（公告）日：2010-07-15

  It is to improve the storage stability of a sealant, to retain the flowability of the sealant when sealing, and to achieve an effective curing rate of the sealant by heating to be applicable as a sealant for delicate semiconductors. It is an epoxy resin composition for sealing a semiconductor, comprising the following component (A) and component (B). (A) an epoxy resin, (B) a clathrate complex comprising (b1) an aromatic carboxylic acid compound, and (b2) at least one imidazole compound represented by formula (II) (wherein R 2 represents a hydrogen atom, etc.; R 3 to R 5 represent a hydrogen atom, etc.).

  这是为了改善密封剂的储存稳定性，保持密封时密封剂的流动性，并通过加热实现密封剂的有效固化速率，以适用于精细半导体的密封剂。它是一种用于密封半导体的环氧树脂组合物，包括以下组分（A）和组分（B）。（A）环氧树脂，（B）包括（b1）芳香羧酸化合物和（b2）至少一种由式（II）表示的咪唑化合物的笼形复合物（其中R2表示氢原子等；R3至R5表示氢原子等）。
• Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV
  申请人：Ormerod Dominic John

  公开号：US20130005976A1

  公开（公告）日：2013-01-03

  A process for preparing [(1R,2R)-4-oxo-1,2-cyclopentanedicarboxylic acid II, by the resolution of racemic 4-oxo-1,2-cyclopentanedicarboxylic acid (V), said process comprising: (a) reacting 4-oxo-1,2-cyclopentanedicarboxylic acid (V) with brucine or (1R,2S)-(−)-ephedrine, thus preparing the bis-brucine or bis-(1R,2S)-(−)-ephedrine salt of (V), and (b) precipitating selectively the bis-brucine or bis-(1R,2S)-(−)-ephedrine salt of (1R,2R)-4-oxo-1,2-cyclopentanedicarboxylic acid II, while the bis-brucine or bis-(1R,2S)-(−)-ephedrine salt of [(1S,2S)-4-oxo-1,2-cyclopentanedicarboxylic acid stays in solution; (c) liberating the acid II by removal of brucine or (1R,2S)-(−)-ephedrine from the precipitated salt obtained in step (b).

  一种制备[(1R,2R)-4-氧代-1,2-环戊烷二羧酸II]的方法，通过拆分混合物中的4-氧代-1,2-环戊烷二羧酸(V)得到，该方法包括：(a)将4-氧代-1,2-环戊烷二羧酸(V)与金雀碱或(1R,2S)-(-)-麻黄碱反应，从而制备出(V)的双金雀碱或双(1R,2S)-(-)-麻黄碱盐，(b)有选择地沉淀(1R,2R)-4-氧代-1,2-环戊烷二羧酸II的双金雀碱或双(1R,2S)-(-)-麻黄碱盐，而双金雀碱或双(1R,2S)-(-)-麻黄碱盐的[(1S,2S)-4-氧代-1,2-环戊烷二羧酸]保持在溶液中；(c)通过从步骤(b)中沉淀的盐中去除金雀碱或(1R,2S)-(-)-麻黄碱来释放酸II。