p-nitrobenzylmalonate magnesium salt

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: p-nitrobenzylmalonate magnesium salt
• 英文别名: magnesium p-nitrobenzylmalonate；mono-p-nitrobenzylmalonate magnesium salt；Magnesium;2-[(4-nitrophenyl)methyl]propanedioate
• 化学式: C₁₀H₇NO₆*Mg
• 分子量: 261.474
• InChiKey: YAFLOSKTKCIWIY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.13
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[(2R,3R)-3-[3-(2-methoxyethoxymethoxy)-1,1-dioxothiolan-3-yl]-4-oxoazetidin-2-yl]acetic acid 、 p-nitrobenzylmalonate magnesium salt 生成 (4-nitrophenyl)methyl 4-[(2R,3R)-3-[3-(2-methoxyethoxymethoxy)-1,1-dioxothiolan-3-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate
  参考文献：
  名称：

  YOSHIOKA, KOICHI;TAMURA, NORIKAZU;NATSUGARI, HIDEAKI

  摘要：

  DOI：
• 作为产物：
  描述：

  magnesium ethylate 、 丙二酸单对硝基苄酯 在 盐酸 、 sodium chloride 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 p-nitrobenzylmalonate magnesium salt
  参考文献：
  名称：

  6-(disubstituted amino)carbapenam compounds

  摘要：

  公式表示的化合物为##STR1##其中R.sub.1代表较低的烷基或较低的卤代烷基；R.sub.2代表较低的烷基、较低的卤代烷基、芳基烷基或具有公式--COOR.sub.4或--SO.sub.2R.sub.5的基团，其中R.sub.4代表烷基或取代或未取代的芳基烷基，R.sub.5代表烷基或取代或未取代的芳基；而R.sub.3代表氢原子或可轻松分离的羧基保护基团。该化合物在生产6-(二取代氨基)卡巴胺系抗生素方面有用。

  公开号：

  US04812563A1

文献信息

• Novel .beta.-lactam acetic acid derivatives
  申请人：Gruppo Lepetit, S.p.A.

  公开号：US04576746A1

  公开（公告）日：1986-03-18

  New .beta.-lactam acetic acid derivatives I ##STR1## wherein R represents alkyl, alkyl substituted with amino, protected amino, mono- or di-alkylamino, hydroxy, protected hydroxy or alkoxy, and alkenyl, and their salts are useful as intermediates for preparing 1-azabicyclo [3.2.0]hept-2-ene antibiotics II ##STR2## The process for preparing the .beta.-lactam acetic acid derivatives I as well as the overall process which starting from the acids I leads to the antibiotics II are also claimed.

  新的β-内酰胺乙酸衍生物I，其中R代表烷基，烷基取代氨基，保护氨基，单或双烷基氨基，羟基，保护羟基或烷氧基，以及烯基，它们的盐可用作制备1-氮杂双环[3.2.0]庚-2-烯类抗生素II的中间体。制备β-内酰胺乙酸衍生物I的方法以及从I酸开始导致II抗生素的整体过程也被要求。
• 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition containing the same
  申请人：Merck & Co., Inc.

  公开号：EP0071908A1

  公开（公告）日：1983-02-16

  Disclosed are 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids having the structure: wherein R9 and R10 are, inter alia, hydrogen R9 and R10 are not both hydrogen) alkyl, cycloalkyl, aryl, and aralkyl; R9 and R10 may be joined; R6 and R7 are, inter alia, independently selected from the group consisting of hydrogen, alkyl, alkenyl, aryl, aralkyl; A is a direct, single bond connecting the indicated S and C atoms, or A is a cyclic or acylic connecting group selected, inter alia, from alkyl, cycloalkyl, aryl, heteroaryl, heteroalkyl; R1 and R2, which define the carbamimidoyl function, are, inter alia, independently selected from hydrogen, alkyl, aryl; additionally, said carbamimidoyl is characterized by cyclic structures achieved by the joinder of the two nitrogen atoms via their substituents and by their joinder to connecting group A; additionally, "carbami- midiums" are disclosed by quarternization of on of the nitrogen atoms of said carbamimidoyl. Such compounds as well as their pharmaceutically acceptable salt, ester and amide derivates are useful as antibiotics. Also disclosed are processes for the preparation of such compounds and pharmaceutical compositions comprising such compounds.

  公开了具有以下结构的1-和1,1-二取代-6-取代-2-氨基甲酰亚胺基-1-碳二硫杂庚烯-2-em-3-羧酸： 其中 R9 和 R10 除其他外，是氢 R9 和 R10 不都是氢）烷基、环烷基、芳基和芳烷基；R9 和 R10 可以连接；R6 和 R7 除其他外，独立地选自氢、烷基、烯基、芳基、芳烷基组成的组；A 是连接所指 S 原子和 C 原子的直接单键，或者 A 是除其他外选自烷基、环烷基、芳基、杂芳基、杂烷基的环状或酰基连接基团；定义氨基甲酰亚胺官能团的 R1 和 R2 除其他外，独立地选自氢、烷基、芳基；此外，所述氨基甲酰亚胺的特征是通过取代基连接两个氮原子以及连接基 A 实现环状结构；此外，通过对所述氨基甲酰亚胺的一个氮原子进行仲氨化，公开了 "氨基甲酰亚胺"。此类化合物及其药学上可接受的盐、酯和酰胺衍生物可用作抗生素。此外，还公开了制备此类化合物和含有此类化合物的药物组合物的工艺。
• Novel beta-lactam derivatives
  申请人：GRUPPO LEPETIT S.P.A.

  公开号：EP0093915A1

  公开（公告）日：1983-11-16

  New β-lactam antibiotics of the general formula wherein R is (C1-C6)alkyl or (C3C6)alkenyl, n is zero or one and the stylized group represents a mono- or polycyclic N-containing heterocyclic group, and their pharmaceutically acceptable salts and esters. Also described and claimed are the process for preparing the new compounds and the pharmaceutical compositions containing them.

  通式如下的新型β-内酰胺类抗生素 其中 R 是（C1-C6）烷基或（C3C6）烯基，n 是 0 或 1，且定型基团 代表单环或多环含 N 杂环基团，以及它们的药学上可接受的盐和酯。本发明还描述了新化合物的制备过程以及含有这些化合物的药物组合物。
• 6-(1-Hydroxyethyl)-2-SR8-1-methyl-1-carbadethiapen-2-em-3-carboxylic acid esters
  申请人：Merck & Co., Inc.

  公开号：EP0113101A1

  公开（公告）日：1984-07-11

  Diselosed are 6-[1-hydroxyethyl)-2-SR5-1-methyl-1-carbadethiapen-2-em-3-carboxylic acid esters (I) which are oralfy active antibiotics: wherein: R is a pharmaceutically acceptable ester moiety consistent with oral delivery; and R' is substituted or unsubstituted: alkyl, alkenyl, alkynyl, or cyclic alkyl, alkenyl, alkynyl, having 1-6 carbon atoms, aryl such as phenyl or heteroaryl such as pyridyl; wherein the substituent or substituents are selected from: phenyl, pyridyl, cyano, fluoro, chloro, hydroxy, alkylthio such as methylthio, arylthio such as phenylthio, methoxy, phenoxy, alkoxycarbonyl such as methoxycarbonyl, acetoxyl, N-methylcarbamoyl, N-methylcarbamoyloxy and N-acylamino. Also disclosed are processes for the preparation of such compounds and pharmaceutical compositions comprising such compounds.

  分离出的 6-[1-羟乙基]-2-SR5-1-甲基-1-巴豆硫杂庚烯-2-em-3-羧酸酯 (I) 是一种具有或半活性的抗生素： 其中R是符合口服给药的药学上可接受的酯基；R'是取代或未取代的：烷基、烯基、炔基，或具有 1-6 个碳原子的环状烷基、烯基、炔基，芳基如苯基或杂芳基如吡啶基；其中的取代基或多个取代基选自：苯基、吡啶基、氰基、氟基、氯基、羟基、烷硫基如甲硫基、芳硫基如苯硫基、甲氧基、苯氧基、烷氧基羰基如甲氧基羰基、乙酰氧基、N-甲基氨基甲酰基、N-甲基氨基甲酰氧基和 N-酰氨基。 还公开了制备此类化合物的工艺和包含此类化合物的药物组合物。
• 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids
  申请人：Merck & Co., Inc.

  公开号：EP0160876A1

  公开（公告）日：1985-11-13

  Disclosed are 1-hetero-6-[1-hydroxyethyl)-2-SR8-1-carbadethiapen-2-em-3-COOR4 compounds having the structure: wherein R4 is, e.g., hydrogen, R8 is, e.g., alkyl and R9 is, e.g., halogen; the pharmaceutically acceptable salt and ester derivatives thereof and use as antibiotics. Also disclosed are processes for the preparation of such compounds and pharmaceutical compositions comprising such compounds.

  公开了具有以下结构的1-hetero-6-[1-羟乙基]-2-SR8-1-carbadethiapen-2-em-3-COOR4化合物：其中R4为氢等，R8为烷基等，R9为卤素等；其药学上可接受的盐和酯衍生物以及作为抗生素的用途。 还公开了制备此类化合物的工艺和包含此类化合物的药物组合物。