sodium methoxycarbonylacetate | 53175-42-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: sodium methoxycarbonylacetate
• 英文别名: sodium 3-methoxy-3- oxopropanoate；methyl sodium malonate；sodium;3-methoxy-3-oxopropanoate
• CAS: 53175-42-1
• 化学式: C₄H₅O₄*Na
• 分子量: 140.071
• InChiKey: JPFUMBONGCPIDF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲基丁酸 、 sodium methoxycarbonylacetate 在 N,N'-羰基二咪唑 、 magnesium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 13.0h， 以36%的产率得到methyl 4-methyl-3-oxohexanoate
  参考文献：
  名称：

  WO2020113209A5

  摘要：

  公开号：

  WO2020113209A5
• 作为产物：
  描述：

  丙二酸二甲酯 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 sodium methoxycarbonylacetate
  参考文献：
  名称：

  Preparation of cis and trans aconitic acids and their salts

  摘要：

  本发明揭示了一种新型多功能化合物及其制备方法。这些化合物可以转化为顺式和反式顺乙烯酸以及异柠檬酸、异柠檬酸、柠檬酸内酯及其盐的混合物。所产生的所有酸和盐形式都可用作金属螯合剂和/或洗涤剂添加剂。这些新型多功能化合物也可以皂化成相应的碱金属盐，这些盐也是金属离子螯合剂和洗涤剂添加剂。这些多功能化合物是从选择的单烷基马来酸盐与选择的活性氢含有化合物反应所得到的反应产物。

  公开号：

  US04123458A1

文献信息

• First Model Reactions towards the Synthesis of Sarain A Core Skeleton Based upon a Biogenetic Scenario
  作者：St�phane Hourcade、Antoine Ferdenzi、Pascal Retailleau、St�phane Mons、Christian Marazano

  DOI：10.1002/ejoc.200400645

  日期：2005.4

  Sarain A is a complex macrocyclic marine alkaloid extracted from sponges of the order Haplosclerida. It is likely that this alkaloid shares a common origin with manzamine alkaloids, also extracted from sponges of the same order. In this paper, new concepts concerning this origin are presented and constitute the basis for a synthetic strategy. A preliminary evaluation of this strategy is presented and

  Sarain A 是一种复杂的大环海洋生物碱，从 Haplosclerida 目海绵中提取。这种生物碱很可能与同样从海绵中提取的 manzamine 生物碱有共同的来源。在本文中，提出了有关此起源的新概念，并构成了综合策略的基础。提出了对该策略的初步评估，并作为第一个结果，通过五步获得双环中间体 43。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
• Novel synthesis of zerumbone-pendant derivatives and their biological activity
  作者：Takashi Kitayama、Maki Nakahira、Kae Yamasaki、Hiromi Inoue、Chika Imada、Yuji Yonekura、Masataka Awata、Hikaru Takaya、Yasushi Kawai、Kohta Ohnishi、Akira Murakami

  DOI：10.1016/j.tet.2013.09.026

  日期：2013.11

  Zerumbone 1, having powerful latent reactivity and containing two conjugated double bonds and a double conjugated carbonyl group is the major component of the essential oil of wild ginger, Zingiber zerumbet Smith. The conjugation system plays an important role in the expression of biological activity. N-Bromosuccinimide (NBS) reaction of 1 gave high reactive intermediate 2 with an exo-methylene group, which was obtained from 1 quantitatively. Treatment of 2 with nucleophiles gave various zerumbonependant derivatives, including C-H, C-O, C-N, and C-C bond formation, maintaining the conjugation system through S(N)2'-type reaction. Almost all zerumbone-pendant derivatives showed a good value of IC50 against the suppressive effect of NO generation. Among them, amine derivative 5, binding with 2 mol of zerumbone, showed the strongest activity (IC50: 0.24 mu M). (C) 2013 Elsevier Ltd. All rights reserved.
• Eberson,L. et al., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1976, vol. 30, p. 906 - 907
  作者：Eberson,L. et al.

  DOI：——

  日期：——
• WO2020113209A5
  申请人：——

  公开号：WO2020113209A5

  公开（公告）日：2022-12-08
• Preparation of cis and trans aconitic acids and their salts
  申请人：Lever Brothers Company

  公开号：US04123458A1

  公开（公告）日：1978-10-31

  Novel polyfunctional compounds and a novel process for their preparation are disclosed. These compounds may be converted into the acid or salt forms of cis and trans aconitic acids as well as into a racemic mixture of isocitric acid, alloisocitric acid and the lactones of isocitric acid and alloisocitric acid and their salts. All of the acid and salt forms produced are useful as metal sequestrants and/or detergent builders. The novel polyfunctional compounds can also be saponified to their corresponding alkali metal salts which, in turn, are also metal ion seqestering agents and detergent builders. The polyfunctional compounds are the reaction products obtained from the reaction of selected salts of monoalkyl esters of maleic acid with selected active hydrogen containing compounds.

  本发明揭示了一种新型多功能化合物及其制备方法。这些化合物可以转化为顺式和反式顺乙烯酸以及异柠檬酸、异柠檬酸、柠檬酸内酯及其盐的混合物。所产生的所有酸和盐形式都可用作金属螯合剂和/或洗涤剂添加剂。这些新型多功能化合物也可以皂化成相应的碱金属盐，这些盐也是金属离子螯合剂和洗涤剂添加剂。这些多功能化合物是从选择的单烷基马来酸盐与选择的活性氢含有化合物反应所得到的反应产物。