1,3,5-benzenetricarboxylic acid tert-butyl ester | 565431-91-6

• 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: 1,3,5-benzenetricarboxylic acid tert-butyl ester
• 英文别名: tert-butyl 1.3.5-benzenetricarboxylate；5-(tert-butoxycarbonyl)isophthalic acid；5-tert-butyloxycarbonylisophthalic acid；1,3,5-benzene-tricarboxylic acid 1-tert-butyl ester；5-[(2-methylpropan-2-yl)oxycarbonyl]benzene-1,3-dicarboxylic acid
• CAS: 565431-91-6
• 化学式: C₁₃H₁₄O₆
• 分子量: 266.251
• InChiKey: RHZBZDCRRWWVGU-UHFFFAOYSA-N

物化性质

• 沸点：
  480.9±40.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3,5-benzenetricarboxylic acid tert-butyl ester 在 dimethyl sulfide borane 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 34.58h， 生成
  参考文献：
  名称：

  Efficient synthesis of water-soluble, phosphonate-terminated polyester dendrimers

  摘要：

  Simple and effective syntheses of novel, water-soluble, phosphonate-terminated polyester dendrimers varying in size and structure are described. These macromolecular compounds, consisting of thiophosphoric and 1,3,5-benzenetricarboxylic ester building blocks may find potential applications in health sciences as microbicides and/or as useful macromolecular models for functional coatings of superparamagnetic iron oxides (SPIOs) nanoparticles intended for use in hyperthermal therapy and magnetic resonance imaging (MRI). The dendrimers, possessing free phosphonate functional groups on the surface, were prepared in high yields from previously synthesized phosphorus-based substrates with 3,5-bis (dimethoxyphosphonyl)-methylibenzoic acid (4), being an essential precursor of the dendrimer polyanionic surface. In addition, an interesting example of virtual coupling between remote nuclei in the C-13 NMR spectrum of bisphosphonate monomer 3 was observed. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.035
• 作为产物：
  描述：

  3,5-双(甲氧基羰基)苯甲酸 在 lithium hydroxide monohydrate 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 1,3,5-benzenetricarboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] IONIZABLE AMINE AND ESTER LIPIDS AND LIPID NANOPARTICLES
  [FR] LIPIDES D'ESTER ET D'AMINE IONISABLES ET NANOPARTICULES LIPIDIQUES

  摘要：

  The present disclosure describes compositions, preparations, nanoparticles (such as lipid nanoparticles), and/or nanomaterials and methods of their use.

  公开号：

  WO2023121970A1

文献信息

• Photochromic glassy liquid crystals comprising mesogenic pendants to dithienylethene cores
  作者：Chunki Kim、Kenneth L. Marshall、Jason U. Wallace、Shaw H. Chen

  DOI：10.1039/b810955a

  日期：——

  Photochromic glassy liquid crystals were synthesized using dithienylethenes as the volume-excluding cores to which liquid crystalline mesogens were chemically bonded through alkyl spacers. Nematic, smectic, and cholesteric glassy liquid crystals were demonstrated with glass transition temperatures above 90 °C and clearing points up to 220 °C without traces of crystallization on cooling or crystalline melting on heating. A monodomain cholesteric glassy liquid crystalline film containing an enantiomeric 2-methylpropylene chiral spacer was characterized as a left-handed helical stack, exhibiting a selective reflection band centered at 686 nm, an orientational order parameter of 0.65 for the quasi-nematic layers, and a combination of reflective coloration with photoswitchable absorptive coloration.

  使用二噻吩乙烯作为体积排除核心，通过烷基间隔基化学键合液晶介晶，合成了光致变色玻璃态液晶。展示了玻璃化转变温度高于 90 °C、清亮点高达 220 °C 的向列相、层状相和胆甾相玻璃态液晶，在冷却过程中无结晶痕迹，在加热过程中无晶体熔化现象。含有手性 2-甲基丙烯基手性间隔基的单畴胆甾相玻璃态液晶薄膜，表现为左旋螺旋堆叠，具有中心位于 686 nm 的选择性反射带、准向列相层的取向序参数为 0.65，以及反射着色与光开关可吸收着色的组合。
• OPTICAL-ISOMER SEPARATING AGENT FOR CHROMATOGRAPHY AND PROCESS FOR PRODUCING THE SAME
  申请人：Ema Tadashi

  公开号：US20100292464A1

  公开（公告）日：2010-11-18

  A novel optical-isomer separating agent for chromatography is provided which has, as a chiral selector, a macrocyclic amide compound having the ability to function as a chiral shift agent. The optical-isomer separating agent for chromatography is formed by bonding, with a carrier by chemical bonding, a specific ring structure containing an asymmetry recognition site, an amide group as a hydrogen-bond donor site, and a hydrogen-bond acceptor site.

  提供一种新型的色谱光学异构体分离剂，其具有作为手性选择剂的大环酰胺化合物，具有作为手性移位剂的功能。该色谱光学异构体分离剂通过在载体上进行化学键合，形成了一个包含不对称识别位点、作为氢键给体位点的酰胺基团和氢键受体位点的特定环结构。
• A Fast and Convenient Synthesis of New Water-Soluble, Polyanionic Dendrimers
  作者：Grzegorz M. Salamończyk

  DOI：10.3390/molecules26164754

  日期：——

  Reasonably simple, efficient, and possessing aspects of generality, the methodology for the synthesis of new, water-soluble, dendrimeric polyesters with great potential applications as antiviral drugs in their own right is described. The essential aspect of the presented approach is a quite unique, immediate access to the polyanionic material at each generation during divergent synthesis. Six target

  描述了新型水溶性树枝状聚酯的合成方法，该方法相当简单、高效且具有通用性，其本身作为抗病毒药物具有巨大的应用潜力。所提出方法的基本方面是在发散合成过程中的每一代中都可以非常独特地立即获得聚阴离子材料。已合成六种目标聚阴离子树枝状聚合物（第 1、2 和 3 代）。该项目中应用的关键单体是1,3,5-苯三甲酸衍生物，它也是带电树枝状聚合物表面的直接前体。
• DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS
  申请人：QuantuMDx Group Limited

  公开号：US20160139133A1

  公开（公告）日：2016-05-19

  Embodiments of the present disclosure relate generally to reporter compositions which are synthetic nucleotides that comprise nucleotides with a high charge mass moiety attached thereto via a linker molecule. The linker molecules can vary in length in part to enable the high charge mass moiety to extend out from a DNA polymerase complex so that polymerization may not be influenced.

  本公开的实施例通常涉及记者组成物，其为合成核苷酸，包括通过连接分子连接到其上的具有高电荷质量部分的核苷酸。连接分子的长度可以不同，部分是为了使高电荷质量部分从DNA聚合酶复合物中延伸出来，以便不影响聚合作用。
• Design, synthesis and use of synthetic nucleotides comprising charge mass tags
  申请人：QuantuMDx Group Limited

  公开号：US10273261B2

  公开（公告）日：2019-04-30

  Embodiments of the present disclosure relate generally to reporter compositions which are synthetic nucleotides that comprise nucleotides with a high charge mass moiety attached thereto via a linker molecule. The linker molecules can vary in length in part to enable the high charge mass moiety to extend out from a DNA polymerase complex so that polymerization may not be influenced.

  本公开的实施方案一般与报告基因组合物有关，报告基因组合物是合成核苷酸，包括通过连接分子连接高电荷质量分子的核苷酸。连接分子的长度可以不同，部分原因是使高电荷质量分子能够从 DNA 聚合酶复合物中延伸出来，从而使聚合作用不受影响。