2-methoxy-2-methylpropanoic acid iodomethyl ester | 100579-07-5

• 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: 2-methoxy-2-methylpropanoic acid iodomethyl ester
• 英文别名: Iodomethyl 2-methoxy-2-methylpropanoate
• CAS: 100579-07-5
• 化学式: C₆H₁₁IO₃
• 分子量: 258.056
• InChiKey: OIVGOODZCJLNRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-2-methylpropanoic acid iodomethyl ester 、 去乙基乙酸酯(E)-头孢呋辛酯 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 Petroleum ether 为溶剂， 生成 (2-methoxy-2-methylpropionyloxy)methyl (6R,7R)-3-carbamoyloxymethyl-7-[(Z)-2-(fur-2-yl)-2-methoxyiminoacetamido]ceph-3-em-4-carboxylate
  参考文献：
  名称：

  Cephalosporin antibiotics

  摘要：

  描述了式（I）的化合物##STR1##其中R、R.sub.1和R.sub.2可以相同也可以不同，分别代表氢原子或C.sub.1-4烷基团，而R.sub.3代表C.sub.1-4烷基团，但当R.sub.1和R.sub.2都代表氢原子时，R.sub.3代表除了甲基基团之外的其他基团。这些头孢噻肟酯作为提供头孢噻肟抗生素口服可用形式具有价值。还描述了制备头孢噻肟酯的方法、含有这些酯的药物组合物以及在医学中使用它们的方法。还描述了用于制备头孢噻肟酯的新中间体。

  公开号：

  US04602012A1

文献信息

• 2-(pyrazol-3-yl)carbapenem derivatives
  申请人：SmithKline Beecham p.l.c.

  公开号：US20030166923A1

  公开（公告）日：2003-09-04

  A compound of formula (I): 1 wherein R &agr; is hydrogen, optionally substituted (C 1-6 )alkyl or optionally substituted aryl; R &bgr; is hydrogen, optionally substituted (C 1-6 )alkyl or optionally substituted aryl; or R &agr; and R &bgr; together form an optionally substituted 5 or 6 membered heterocyclic ring with or without additional heteroatoms; R 1 is (C 1-6 )alkyl which is unsubstituted or substituted by fluoro, a hydroxy group which is optionally protected by a removable hydroxy protecting group, or by an amino group which is optionally protected by a removable amino protecting group; R 2 is hydrogen or methyl; and —CO 2 R 3 is carboxy or a carboxylate anion or the group R 3 is a removable carboxy protecting group. This invention also relates to processes for its preparation, intermediates and pharmaceutical compositions comprising compounds of formula (I). Compounds of formula (I) which include pharmaceutically acceptable salts or pharmaceutically acceptable in vivo hydrolysable esters thereof have a broad spectrum of anti-bacterial activity and show good stability towards DHP-1.

  式(I)的化合物：其中R&agr;为氢，可选地取代的（C1-6）烷基或可选地取代的芳基；R&bgr;为氢，可选地取代的（C1-6）烷基或可选地取代的芳基；或R&agr;和R&bgr;共同形成一个可选地取代的5或6元杂环环，带或不带额外的杂原子；R1为（C1-6）烷基，未取代或由氟取代，或者是可选地由可拆卸的羟基保护基保护的羟基基团，或者是可选地由可拆卸的氨基保护基保护的氨基基团；R2为氢或甲基；和-CO2R3为羧基或羧酸根离子，或者基团R3为可拆卸的羧基保护基。本发明还涉及其制备方法、中间体和包括式(I)化合物的制药组合物。式(I)的化合物包括其药学上可接受的盐或药学上可在体内水解的酯，具有广谱的抗菌活性，并对DHP-1表现出良好的稳定性。
• ESTERS OF CARBAPENEMS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0823911A1

  公开（公告）日：1998-02-18
• US4602012A
  申请人：——

  公开号：US4602012A

  公开（公告）日：1986-07-22
• US7045619B2
  申请人：——

  公开号：US7045619B2

  公开（公告）日：2006-05-16
• [EN] ESTERS OF CARBAPENEMS<br/>[FR] ESTERS DE CARBAPENEMES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1996034869A1

  公开（公告）日：1996-11-07

  (EN) A compound of general formula (I) in which R is (a); wherein R$g(a) is hydrogen, optionally substituted (C1-6)alkyl or optionally substituted aryl; R$g(b) is hydrogen, optionally substituted (C1-6)alkyl or optionally substituted aryl; or R$g(a) and R$g(b) together form an optionally substituted 5 or 6 membered heterocyclic ring with or without additional heteroatoms; R1 is (C1-6)alkyl which is unsubstituted or substituted by fluoro, a hydroxy group which is optionally protected by a readily removable hydroxy protecting group, or by an amino group which is optionally protected by a readily removable amino protecting group; R2 is hydrogen or methyl; and R3 is selected from the group consisting of (a) a group of formula (i) wherein R1 is hydrogen or (C1-6)alkyl, R2 is hydrogen, (C1-6)alkyl optionally substituted by halogen, (C1-6)alkenyl, (C1-6)alkoxycarbonyl, aryl, or heteroaryl, R3 is hydrogen, (C1-6)alkyl, or (C1-6)alkoxycarbonyl, and R4 is a pharmaceutically acceptable ester forming group, and (b) a group of formula CH(Ra)O.CO.Rb, wherein Ra is hydrogen, (C1-6)alkyl, (C3-7)cycloalkyl, methyl, or phenyl; and Rb is (C1-6)alkyl(C3-7)cycloalkyloxy or (C1-6)alkoxy(C1-6)alkyl, is useful in the treatment of bacterial infections.(FR) L'invention porte sur un composé s'avérant utile pour le traitement d'affections bactériennes de formule générale (I) dans laquelle R est (a) et où R$g(a) est hydrogène, C1-6 alkyle facultativement substitué ou aryle facultativement substitué; R$g(b) est hydrogène, C1-6 alkyle facultativement substitué ou aryle facultativement substitué; R$g(a) et R$g(b) forment ensemble un noyau hétérocyclique à 5 ou 6 éléments avec ou sans hétéroatomes additionnels, R1 est C1-6 alkyle substitué ou non par fluoro, un groupe hydroxy facultativement protégé par un groupe protecteur hydroxy facilement retirable ou un groupe amino facultativement protégé par un groupe protecteur amino facilement retirable, R2 est hydrogène ou méthyle et R3 est sélectionné:(a) dans un groupe de formule (i) où R1 est hydrogène ou C1-6 alkyle, R1 est hydrogène, C1-6 alkyle facultativement substitué par halogène, C1-6 alcényle, C1-6 alkoxycarbonyle, aryle ou hétéroaryle, R3 est hydrogène, C1-6 alkyle, C1-6 alkoxycarbonyle; et R4 est un groupe ester pharmacocompatible, et (b): un groupe CH(Ra)O.CO.Rb dans lequel Ra est hydrogène, C1-6 alkyle, C3-7 cycloalkyle, méthyle ou phényle; et Rb est C1-6 alkyle, C3-7 cycloalkyloxy ou C1-6 alkoxy C1-6 alkyle.