1,3,5-benzenetricarboxylic acid tert-butyl dimethyl ester | 565431-90-5

• 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 dimethyl ester
• 英文别名: trimesic acid tert-butyl dimethyl ester；1-(Tert-butyl) 3,5-dimethyl benzene-1,3,5-tricarboxylate；3-O-tert-butyl 1-O,5-O-dimethyl benzene-1,3,5-tricarboxylate
• CAS: 565431-90-5
• 化学式: C₁₅H₁₈O₆
• 分子量: 294.304
• InChiKey: LBULQDFMZNFMFY-UHFFFAOYSA-N

物化性质

• 沸点：
  375.1±22.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3,5-benzenetricarboxylic acid tert-butyl dimethyl ester 在 sodium hydroxide 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-O-tert-butyl 1-O-methyl 5-[[3-amino-5-(octadecanoylamino)phenyl]carbamoyl]benzene-1,3-dicarboxylate
  参考文献：
  名称：

  Synthesis of an amide cyclophane building block of shape-persistent triangular molecular wedges

  摘要：

  The synthesis of an amide cyclophane, which can be considered as the first generation of a family of triangular shape-persistent molecular wedges is described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.012
• 作为产物：
  描述：

  三甲基1,3,5-苯三羟酸酯 在 4-二甲氨基吡啶 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 1,3,5-benzenetricarboxylic acid tert-butyl dimethyl ester
  参考文献：
  名称：

  Synthesis of an amide cyclophane building block of shape-persistent triangular molecular wedges

  摘要：

  The synthesis of an amide cyclophane, which can be considered as the first generation of a family of triangular shape-persistent molecular wedges is described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.012

文献信息

• 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。
• NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF
  申请人：S&T Global Inc.

  公开号：EP3831841A1

  公开（公告）日：2021-06-09

  A compound of the Formula (I) is disclosed: or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification. Also described are a pharmaceutical composition comprising the same and a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, lung, and liver, and kindey diseases, and hair loss using the same.

  公开了一种式 (I) 的化合物： 或其药学上可接受的盐，其中符号如说明书中所定义。还描述了包含该化合物的药物组合物，以及使用该化合物治疗或预防病毒感染、炎症、干眼症、中枢神经失调、心血管疾病、癌症、肥胖症、糖尿病、肌肉萎缩症、肺病、肝病、肾病和脱发的方法。
• 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。
• Efficient synthesis of water-soluble, phosphonate-terminated polyester dendrimers
  作者：Grzegorz M. Salamończyk

  DOI：10.1016/j.tetlet.2015.11.035

  日期：2015.12

  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.
• [EN] DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS<br/>[FR] CONCEPTION, SYNTHÈSE ET UTILISATION DE NUCLÉOTIDES SYNTHÉTIQUES COMPRENANT DES ÉTIQUETTES DE CHARGE SPÉCIFIQUE
  申请人：QUANTUMDX GROUP LTD

  公开号：WO2017120148A1

  公开（公告）日：2017-07-13

  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.