3-hydroxymethyl-4-nitrobenzoic acid | 914777-97-2

• 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: 3-hydroxymethyl-4-nitrobenzoic acid
• 英文别名: 3-(Hydroxymethyl)-4-nitrobenzoic acid
• CAS: 914777-97-2
• 化学式: C₈H₇NO₅
• 分子量: 197.147
• InChiKey: MYLKCJHDPDUYEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-hydroxymethyl-4-nitrobenzoic acid 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 ethyl 3-[[[(8Z)-heptadec-8-en-1-ylcarbamoyl]oxy]methyl]-4-nitrobenzoate
  参考文献：
  名称：

  Design and Synthesis of Lipids for the Fabrication of Functional Lipidic Cubic-Phase Biomaterials

  摘要：

  A series of novel lipids with designed functionalities were synthesized. These lipids are based on conjugation of alpha-amino acids and their esters, cationic, anionic, neutral, and photochromic moieties to the lipophilic 9-cis octadecenyl chains by amide, ester, thioester, or amine bonds. Because of the plasticity of lipidic cubic phases, it is envisaged that when mixed with monooleoyl-rac-glycerol (monoolein, MO) and water at appropriate proportions, they would assemble to form bicontinuous lipidic cubic phases (LCPs) that exhibit the well-known material properties of LCPs such as phase stability, optical transparency, and chemical permeability. Moreover, due to the nature and position of the functionality at the headgroup region, we envision them to perform as functional materials by design.

  DOI：

  10.1021/jo301659c
• 作为产物：
  描述：

  3-(溴甲基)-4-硝基苯甲酸甲酯 在 硫酸 作用下， 以 水 为溶剂， 以84%的产率得到3-hydroxymethyl-4-nitrobenzoic acid
  参考文献：
  名称：

  具有红移吸收的邻硝基苄基光不稳定保护基：用于一光子激发和两光子激发的合成和解开横截面。

  摘要：

  我们评估了邻硝基苄基平台，用于设计具有红移吸收的光不稳定保护基，该保护基可在单光子和双光子激发后被光解。报道了建立不同的共轭邻硝基苄基骨架以及改变苄基位置的几种合成途径。相对于参考的4,5-二甲氧基-2-硝基苄基，几种邻硝基苄基衍生物在近紫外范围内表现出大的红移单光子吸收。通过测量模型笼状醚和酯上的紫外可见吸收和稳态荧光发射，研究了单光子激发后的解笼。在整个研究过程中，笼罩的底物在光解后被干净地释放。单光子吸收后的解开量子产率在0.1-1％的范围内。我们观察到，随着邻硝基苄基保护基团最大波长吸收的增加，这些下降。一种基于荧光相关光谱法（FCS）的双光子激发后的新方法用于测量双光子激发的作用解开截面。研究的邻硝基苄基笼状荧光香豆素系列显示的值在0.1-0.01 Goeppert-Mayer（GM）范围内。这样的结果与用于双光子吸收的与1-50 GM的横截面相关的解开的低量子产率相符。尽管邻硝

  DOI：

  10.1002/chem.200501393

文献信息

• ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20160244407A1

  公开（公告）日：2016-08-25

  An aryloyl(oxy or amino)pentafluorosulfanylbenzene compound having pharmacological action. The aryloyl(oxy or amino)pentafluorosulfanylbenzene compound is represented by general formula (A-I), a pharmaceutically acceptable salt thereof, and a prodrug thereof, wherein all of parameters represent the same meanings as defined in the specification.

  一种具有药理作用的芳基酰氧或氨基五氟磺基苯化合物。该芳基酰氧或氨基五氟磺基苯化合物由通用式(A-I)表示，其药用可接受的盐和前药，其中所有参数的含义与规范中定义的相同。
• 一类光诱导的细胞共价标记荧光分子、其制备方法及应用
  申请人：中国科学院上海药物研究所

  公开号：CN114315733A

  公开（公告）日：2022-04-12

  本发明涉及一类光诱导的细胞共价标记荧光分子、其制备方法及应用，具体涉及一类下式(I)所示的化合物，或其互变异构体、对映异构体、对映体、非对映体、消旋体、前体化合物、同位素化合物、各种形式的盐或水合物，它们可以用于制备光诱导的共价标记荧光探针，用于细胞生物学中亚细胞器的定位及成像。所述的光诱导共价标记荧光探针在细胞生物学研究、蛋白质组学研究及生物大分子的动态变化研究中具有重要应用潜力和突出的实用价值。
• Design, synthesis and identification of novel colchicine-derived immunosuppressant
  作者：Dong-Jo Chang、Eun-Young Yoon、Geon-Bong Lee、Soon-Ok Kim、Wan-Joo Kim、Young-Myeong Kim、Jong-Wha Jung、Hongchan An、Young-Ger Suh

  DOI：10.1016/j.bmcl.2009.05.054

  日期：2009.8

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.
• US9682931B2
  申请人：——

  公开号：US9682931B2

  公开（公告）日：2017-06-20
• Design and Synthesis of Lipids for the Fabrication of Functional Lipidic Cubic-Phase Biomaterials
  作者：Yazmin M. Osornio、Peter Uebelhart、Silvan Bosshard、Fabian Konrad、Jay S. Siegel、Ehud M. Landau

  DOI：10.1021/jo301659c

  日期：2012.12.7

  A series of novel lipids with designed functionalities were synthesized. These lipids are based on conjugation of alpha-amino acids and their esters, cationic, anionic, neutral, and photochromic moieties to the lipophilic 9-cis octadecenyl chains by amide, ester, thioester, or amine bonds. Because of the plasticity of lipidic cubic phases, it is envisaged that when mixed with monooleoyl-rac-glycerol (monoolein, MO) and water at appropriate proportions, they would assemble to form bicontinuous lipidic cubic phases (LCPs) that exhibit the well-known material properties of LCPs such as phase stability, optical transparency, and chemical permeability. Moreover, due to the nature and position of the functionality at the headgroup region, we envision them to perform as functional materials by design.