2-硝基苯酚离子 | 16554-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-硝基苯酚离子
• 英文名称: 2-nitrophenolate
• 英文别名: o-nitrophenolate
• CAS: 16554-53-3
• 化学式: C₆H₄NO₃
• 分子量: 138.103
• InChiKey: IQUPABOKLQSFBK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-硝基苯酚离子 在 silver 作用下， 生成 2-氨基苯酚
  参考文献：
  名称：

  利用Labeo rohita鱼鳞仿生合成银纳米颗粒及其作为还原芳香族硝基化合物的催化剂的应用

  摘要：

  在本文中，提供了一种清洁，绿色，便宜和环保的方法，该方法使用Labeo鱼鳞的水提取物（被视为废料），采用简单的辐射技术生成自组装的银纳米颗粒（Ag NPs）。描述了rohita。明胶被认为是负责减少和稳定自组装Ag NP的主要成分。可以通过控制各种反应参数（例如温度，浓度和pH）来调整单个Ag NP的大小和形态。研究表明，随着浓度和pH的增加，Ag NPs的尺寸减小，而随着温度的升高，Ag NPs的尺寸增大。本方法不需要任何外部还原剂，如硼氢化钠或肼等，而明胶本身可以起双重作用：明胶-Ag NPs胶体分散形成的“还原剂”和“稳定剂”。合成的银纳米颗粒通过紫外-可见光谱（UV-Vis），透射电子显微镜（TEM）和选择区域电子衍射（SAED）分析进行了表征。合成的Ag NPs用于研究在水性和三种不同胶束介质中各种芳族硝基化合物的催化还原。胶束与底物之间的疏水和静电相互作用负责胶束中纳米颗粒的催

  DOI：

  10.1016/j.saa.2014.04.065
• 作为产物：
  描述：

  硝苯酚 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 生成 2-硝基苯酚离子
  参考文献：
  名称：

  纳米结构 β-CoMoO4 在还原邻、间和对硝基苯酚异构体方面的高催化效率

  摘要：

  纳米结构的 β-CoMoO4 催化剂是通过草酸盐前体的热分解制备的。通过红外光谱（FTIR）、X射线衍射（XRD）、Brunauer-Emmett-Teller法（BET）、能量色散X射线光谱（EDX）和透射电子显微镜（TEM）对催化剂进行表征。这些纳米粒子在将邻位和间硝基苯酚异构体（2-NP、3-NP 和 4-NP）还原为相应的氨基苯酚方面的效率使用紫外-可见光谱测量进行了测试。结果发现，使用 β-CoMoO4 催化剂，NaBH4 立即还原 3-NP，而 2-NP 和 4-NP 的还原在 8 分钟时较慢。这种差异被认为是由 3-NP 的较低酸度引起的，其中酚盐的负电荷不能离域到间硝基的氧原子上。

  DOI：

  10.3390/molecules23020364

文献信息

• Preparation Method of Nucleoside Phosphoramidate Prodrugs and Intermediates Thereof
  申请人：BrightGene Bio-Medical Technology Co., Ltd.

  公开号：US20180237466A1

  公开（公告）日：2018-08-23

  Provided in the present disclosure are a novel preparation method of nucleoside phosphoramidate prodrugs and the intermediates thereof. In particular, the method is adopted to perform isomer separation on the reaction product from a first step and then perform a two-step chemical synthesis, so as to prepare a high-purity compound S p -1. The method has simple and convenient operation and low cost. The prepared resulting single isomer S p -1 has high purity, and the HPLC purity thereof is 95% or more, and further, 99% or more. The method is suitable for industrial production and can satisfy the need of clinical study. Further, also provided in the present disclosure are a key intermediate phosphorus reagent for preparing the high-purity compound S p -1 and the preparation method thereof.

  本公开提供了一种新颖的核苷酸磷酰胺酯前药及其中间体的制备方法。具体而言，该方法被采用用于对第一步的反应产物进行异构体分离，然后进行两步化学合成，以制备高纯度化合物S p -1。该方法操作简单方便，成本低廉。制备得到的单一异构体S p -1具有高纯度，其HPLC纯度为95%或更高，进一步可达99%或更高。该方法适用于工业生产，并能满足临床研究的需求。此外，本公开还提供了用于制备高纯度化合物S p -1及其制备方法的关键中间体磷试剂。
• SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS
  申请人：Fang Shiyue

  公开号：US20210032281A1

  公开（公告）日：2021-02-04

  Embodiments for the synthesis of sensitive oligonucleotides as well as insensitive oligonucleotides are provided. Sulfur-based groups are used for the protection of exo-amino groups of nucleobases, phosphate groups and 2′-OH groups, and as cleavable linker for linking oligonucleotides to a support. Oligonucleotide syntheses are achieved under typical conditions using phosphoramidite chemistry with important modifications. To prevent replacing sulfur-based protecting groups by acyl groups via cap-exchange, special capping agents are used. To retain hydrophobic tag to assist RP HPLC purification, special phosphoramidites are used in the last synthetic cycle. With the sulfur-based groups for protection and linking, oligonucleotide deprotection and cleavage are achieved via oxidation followed by beta-elimination under mild conditions. Therefore, besides for insensitive oligonucleotide synthesis, the embodiments of the invention are capable for the synthesis of oligonucleotide analogs containing sensitive functional groups that cannot survive the harsh conditions used in prior art oligonucleotide synthesis technologies.

  本发明提供了用于合成敏感寡核苷酸和不敏感寡核苷酸的实施方案。使用基于硫的基团来保护核苷酸碱基的exo-氨基团、磷酸基团和2′-OH基团，并且作为可裂解的连接剂将寡核苷酸连接到支持物上。寡核苷酸的合成是在典型条件下使用磷酰亚胺化学进行的，并进行了重要的修改。为了防止通过帽交换将基于硫的保护基团替换为酰基，使用了特殊的封端剂。为了保留亲脂性标签以协助反相高效液相色谱（RP HPLC）纯化，在最后的合成周期中使用了特殊的磷酰亚胺。使用基于硫的基团进行保护和连接，寡核苷酸的脱保护和裂解是通过氧化随后在温和条件下进行beta-消除实现的。因此，除了用于不敏感寡核苷酸的合成外，本发明的实施方案还能够合成包含在先前的寡核苷酸合成技术中使用的严酷条件下无法存活的敏感功能团的寡核苷酸类似物。
• [EN] FUNCTIONALIZED MORPHOLINYL ANTHRACYCLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE MORPHOLINYLANTHRACYCLINE FONCTIONNALISÉS
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2016071418A1

  公开（公告）日：2016-05-12

  The present invention relates to new functionalized morpholinyl anthracycline derivatives which have cytotoxic activity and are useful in treating diseases such as cancer, cellular proliferation disorders and viral infections. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising them and methods of treating diseases utilizing such compounds, or the pharmaceutical compositions containing them. The invention also relates to the use of these derivatives in the preparation of conjugates. The morpholinyl anthracycline derivatives are of the formula Ant-L-W-Z-RM (I) wherein RM is null or a reactive moiety; Z is null or a peptidic, non peptidic or hybrid - peptidic and non peptidic - linker; W is null or a self-immolative system, comprising one or more self-immolative groups; L is null or a conditionally-cleavable moiety; Ant is an anthracycline moiety selected from the formulas (II), (III), (IV) and (V), wherein the wavy line indicates the attachment to the conditionally-cleavable moiety L, or to the self-immolative system W, or to the linker Z, or to the reactive moiety RM; provided that at least one of L, W, Z and RM is not null; R1 is halogen or NR4R5; R2 is OR6, NR7R8 or an optionally substituted group selected from straight or branched C1C4alkyl-, NR7R8-C1C4alkyl- and R60-C1C4alkyl-; R4 and R5 are independently hydrogen, a monosubstituted-benzyl, a disubstituted-benzyl, or an optionally substituted group selected from straight or branched C1-C6alkyl, NR7R8-C1-C6alkyl-, R60-C1-C6alkyl-, R7R8N-C1-C6alkylcarbonyl-, R60-C1-C6alkylcarbonyl-, R7R8N-C1-C6alkoxycarbonyl- and R60-C1-C6alkoxycarbonyl-; or R4 and R5, taken together with the nitrogen atom to which they are bound, form a heterocyclyl substituted with R4', wherein R4' is hydrogen or a group selected from straight or branched C1-C6alkyl and NR7R8-C1-C6alkyl-; R15 is null or an optionally substituted bivalent group selected from -NR7-C1-C6alkyl*, -O-C1-C6alkyl*, -NR7-C1-C6alkylcarbonyl*, -O-C1-C6alkylcarbonyl*, -NR7-C1-C6alkoxycarbonyl* and -O-C1-C6alkoxycarbonyl*, wherein * indicates the point of attachment to -NH-Ant; R6, R7 and R8 are independently hydrogen or an optionally substituted straight or branched C1-C6alkyl; or a pharmaceutically acceptable salt thereof.

  本发明涉及具有细胞毒活性并用于治疗癌症、细胞增殖紊乱和病毒感染等疾病的新功能化吗啉基蒽环素衍生物。本发明还提供了制备这些化合物的方法、包含它们的药物组合物以及利用这些化合物或含有它们的药物组合物治疗疾病的方法。该发明还涉及将这些衍生物用于制备共轭物的用途。吗啉基蒽环素衍生物的化学式为Ant-L-W-Z-RM（I），其中RM为空或为反应性基团；Z为空或为肽、非肽或混合肽和非肽连接物；W为空或为自解离系统，包括一个或多个自解离基团；L为空或为条件可切割基团；Ant为从化学式（II）、（III）、（IV）和（V）中选择的蒽环素基团，其中波浪线表示与条件可切割基团L、自解离系统W、连接物Z或反应性基团RM的连接；但要求至少有一个L、W、Z和RM不为空；R1为卤素或NR4R5；R2为OR6、NR7R8或从直链或支链C1-C4烷基、NR7R8-C1-C4烷基和R60-C1-C4烷基中选择的可选择取代基团；R4和R5独立地为氢、单取代苄基、双取代苄基或从直链或支链C1-C6烷基、NR7R8-C1-C6烷基、R60-C1-C6烷基、R7R8N-C1-C6烷基羰基、R60-C1-C6烷基羰基、R7R8N-C1-C6烷氧羰基和R60-C1-C6烷氧羰基中选择的可选择取代基团；或R4和R5与它们结合的氮原子一起形成与R4'取代的杂环烷基，其中R4'为氢或从直链或支链C1-C6烷基和NR7R8-C1-C6烷基中选择的基团；R15为空或从-NR7-C1-C6烷基*、-O-C1-C6烷基*、-NR7-C1-C6烷基羰基*、-O-C1-C6烷基羰基*、-NR7-C1-C6烷氧羰基*和-O-C1-C6烷氧羰基*中选择的可选择取代的二价基团，其中*表示与-NH-Ant的连接点；R6、R7和R8独立地为氢或可选择取代的直链或支链C1-C6烷基；或其药学上可接受的盐。
• METALPORPHYRIN COMPLEX, PREPARATION METHOD THEREFOR AND METHOD FOR PREPARING POLYCARBONATE
  申请人：CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESDE ACADEMY OF SCIENCES

  公开号：US20160194346A1

  公开（公告）日：2016-07-07

  The present invention provides a metalporphyrin complex having structure represented by formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 are independently selected from one of hydrogen, halogen, aliphatic group, substituted heteroaliphatic group, aryl and substituted heteroaryl; n is 1-6; L is quaternary ammonium functional group or quaternary phosphonium functional group; M is a metal element; and X is one of halogen, —NO 3 , BF 4 —, —CN, p-methyl benzoate, o-nitrophenol oxygen anion, 2,4-dinitrophenol oxygen anion, 2,4,6-trinitrophenol oxygen anion, 3,5-dichlorophenol oxygen anion and pentafluorophenol oxygen anion. The metalporphyrin complex provided in the present invention has two quaternary ammonium functional groups or two quaternary phosphonium functional groups, and compared with the prior art, the metalporphyrin complex shows higher catalytic activity in catalyzing polymerization reaction of carbon dioxide and an epoxide.

  本发明提供了一种金属卟啉配合物，其结构由式（I）表示，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10分别独立地选自氢、卤素、脂肪基、取代杂脂肪基、芳基和取代杂芳基中的一种；n为1-6；L为季铵功能基或季磷功能基；M为金属元素；X为卤素、—NO3、BF4—、—CN、对甲基苯甲酸酯、邻硝基酚氧阴离子、2,4-二硝基酚氧阴离子、2,4,6-三硝基酚氧阴离子、3,5-二氯酚氧阴离子和五氟苯酚氧阴离子中的一种。本发明提供的金属卟啉配合物具有两个季铵功能基或两个季磷功能基，与现有技术相比，金属卟啉配合物在催化二氧化碳和环氧化合物的聚合反应中显示出更高的催化活性。
• [EN] HETEROBIFUNCTIONAL LINKERS FOR MODIFYING THIOLS<br/>[FR] LIEURS HÉTÉROBIFONCTIONNELS POUR MODIFIER DES THIOLS
  申请人：NORUT NORTHERN RES INSTITUTE AS

  公开号：WO2018146166A1

  公开（公告）日：2018-08-16

  The invention relates to certain compounds of formula (I) (I) wherein Y is an electron-withdrawing group; Q is (formula) Z is a leaving group; J is NR5, with R5 being hydrogen or a substituted or unsubstituted alkyl, alkenyl, alkynyl or aryl group. R1 to R4 optional substituents and m is an integer between 1 and 12; n is an integer between 0 and 4; o is between 0 and 4. These compounds are useful as linkers for realisably joining a targeting moiety such as an antibody to a "cargo" compound such as a drug, particularly an anti-cancer drug. The invention also relates to conjugates of a targeting moiety and a drug utilising the linker, to methods of synthesis of the linker and to processes for the production of the conjugate. The use of the conjugate in the treatment of disease such as cancer is also disclosed.

  该发明涉及以下式（I）的某些化合物，其中Y是一个电子吸引基团；Q是（式）Z是一个离去基团；J是NR5，其中R5是氢或取代或未取代的烷基，烯基，炔基或芳基。R1到R4是可选的取代基，m是1到12之间的整数；n是0到4之间的整数；o在0到4之间。这些化合物可用作连接物，用于可靠地将靶向基团（如抗体）与“载体”化合物（如药物，特别是抗癌药物）连接起来。该发明还涉及利用该连接物的靶向基团和药物的共轭物，以及该连接物的合成方法和共轭物的生产方法。还披露了该共轭物在治疗癌症等疾病中的用途。