丙二酸 1,3-二(4-溴苯基)酯 | 116210-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 丙二酸 1,3-二(4-溴苯基)酯
• 中文别名: 丙二酸1,3-二(4-溴苯基)酯
• 英文名称: di-p-bromophenyl malonate
• 英文别名: bis(4-bromophenyl) malonate；malonic acid bis-(4-bromo-phenyl ester)；Malonsaeure-bis-(4-brom-phenylester)；Bis(4-bromophenyl) propanedioate
• CAS: 116210-64-1
• 化学式: C₁₅H₁₀Br₂O₄
• 分子量: 414.05
• InChiKey: VHCKBCLWUMPTLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  丙二酸 1,3-二(4-溴苯基)酯 在 三氯化铝 作用下， 生成 9-bromo-pyrano[3,2-c]chromene-2,4,5-trione
  参考文献：
  名称：

  Zur Chemie des 4-Oxy-cumarins

  摘要：

  DOI：

  10.1007/bf00903639
• 作为产物：
  描述：

  4-溴苯酚 、 丙二酸 在 三氯氧磷 作用下， 以94%的产率得到丙二酸 1,3-二(4-溴苯基)酯
  参考文献：
  名称：

  通过离子对催化的 1,6-共轭加成对单和邻位全碳四元立体中心的对映选择性构建

  摘要：

  已经描述了通过双功能鏻-酰胺促进的离子对催化对预合成的 δ-芳基-δ-氰基-二取代的对-醌甲基化物进行不对称 1,6-共轭加成，用于非环状全碳四元立体中心结构。无环和环状 1,3-二羰基都参与不对称烷基化反应，提供了一系列具有单个无环季碳立体中心或邻环和无环季碳立体中心的二芳基甲烷，具有高效率和优异的立体选择性。计算研究阐明了对映选择性的起源。

  DOI：

  10.1021/acs.orglett.1c02640

文献信息

• [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2018149419A1

  公开（公告）日：2018-08-23

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶（SpsB）发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。
• Asymmetric Catalytic 1,6-Conjugate Addition/Aromatization of<i>para</i>-Quinone Methides: Enantioselective Introduction of Functionalized Diarylmethine Stereogenic Centers
  作者：Wen-Dao Chu、Le-Fen Zhang、Xu Bao、Xian-He Zhao、Chao Zeng、Ji-Yuan Du、Guo-Biao Zhang、Fang-Xin Wang、Xiao-Yan Ma、Chun-An Fan

  DOI：10.1002/anie.201303928

  日期：2013.8.26

  It′s just a phase: The title reaction sequence of para‐quinone methides (p‐QMs) has been developed with malonates under phase‐transfer catalysis. The reaction also offers an alternative route to asymmetric construction of diarylmethine stereocenters in excellent enantioselectivities and high yields.

  这只是一个阶段：在相转移催化下，丙二酸与对醌甲基化物（p- QMs）的标题反应序列已经被开发出来。该反应还提供了另一种途径，以优异的对映选择性和高收率不对称地构建二芳基次甲基立体中心。
• PHENYLALANINE DERIVATIVES
  申请人：Burke R. Terrence

  公开号：US20070219194A1

  公开（公告）日：2007-09-20

  The present invention provides phenylalanine derivatives that inhibit SH2 domain binding with a phosphoprotein. These derivatives include compounds of the formula: W—Y-(AA) n -Z wherein n is 0 to 15; Y is a phenylalanyl radical having a phenyl ring, an amine end, and a carboxyl end, the phenyl ring having one or more substituents, e.g., hydroxyl, carboxyl, formyl, carboxyalkyl, carboxyalkyloxy, dicarboxyalkyl, dicarboxyalkyloxy, dicarboxyhaloalkyl, dicarboxyhaloalkyloxy, and phosphonoalkyl, or phosphonohaloalkyl; W is a moiety attached to the nitrogen of Y and is, e.g., alkylcarbonyl, oxalyl, alkylaminooxalyl, arylaminooxalyl, arylalkylaminooxalyl, or alkoxyoxalyl; AA is an amino acid, the amine end of which is attached to the carboxyl end of Y; and Z is an arylalkylamino or arylheterocyclyl alkylamino; or a salt thereof; with the proviso that W is not arylalkylamino when the phenyl ring of phenylalanyl contains a phosphonoalkyl or phosphonohaloalkyl substituent at a position para to the alkylamido group and the ortho and meta positions are unsubstituted. The present invention further provides precursors suitable for preparing the phenylalanine derivatives and a method for the preparation of the precursors. The present invention further provides conjugates comprising a precursor and a conjugant that are covalently linked. These conjugates have biological and/or pharmacological properties.

  本发明提供苯丙氨酸衍生物，其抑制SH2域与磷酸化蛋白结合。这些衍生物包括以下公式的化合物：W—Y-(AA)n-Z，其中n为0至15；Y是具有苯环、胺端和羧基端的苯丙氨酰基基团，苯环具有一个或多个取代基，例如羟基、羧基、甲酰基、羧基烷基、羧基烷氧基、二羧基烷基、二羧基烷氧基、二羧基卤代烷基、二羧基卤代烷氧基、磷酸烷基或磷酸卤代烷基；W是连接到Y的氮上的基团，例如烷基羰基、草酰基、烷基氨基草酰基、芳基氨基草酰基、芳基烷基氨基草酰基或烷氧基草酰基；AA是一种氨基酸，其胺端连接到Y的羧基端；Z是芳基烷基氨基或芳基杂环基烷基氨基；或其盐；但是，当苯丙氨酰基的苯环在烷基酰基基团的对位上含有磷酸烷基或磷酸卤代烷基取代基，并且邻位和间位未取代时，W不是芳基烷基氨基。本发明还提供适用于制备苯丙氨酸衍生物的前体以及制备前体的方法。本发明还提供共价连接的前体和结合物的共轭物。这些共轭物具有生物和/或药理学性质。
• Tietze, Lutz F.; Beifuss, Uwe; Ruther, Michael, Angewandte Chemie, 1988, vol. 100, # 9, p. 1200 - 1201
  作者：Tietze, Lutz F.、Beifuss, Uwe、Ruther, Michael、Ruehlmann, Andreas、Antel, Jochen、Sheldrick, George M.

  DOI：——

  日期：——
• Highly enantioselective introduction of bis(alkoxycarbonyl)methyl group into the 2-position of piperidine skeleton
  作者：Yoshihiro Matsumura、Diashirou Minato、Osamu Onomura

  DOI：10.1016/j.jorganchem.2006.04.039

  日期：2007.1

  Copper ion catalyzed carbon-carbon bond forming reaction of N-acyliminium ions with diaryl the method were 2-methoxy-3,4-didehydropiperidines, which were easily prepared through electrochemical oxidation of 1-(p-methoxybenzoyl)piperidine in methanol followed by the conversion of the oxidation product to didehydropiperidine derivative, which was subjected to a chiral Cu(II) catalyzed coupling reaction with diaryl malonates affording diaryl 2-piperidylmalonates. The maximum % ee (ee, enantiomeric excess) was 97% when di-p-chlorophenyl malonate was used as a nucleophile. (c) 2006 Elsevier B.V. All rights reserved.