1,1-dimethylethyl-2-chloro-3-methoxymethyloxirane-carboxylate | 102142-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: 1,1-dimethylethyl-2-chloro-3-methoxymethyloxirane-carboxylate
• 英文别名: 1,1-Dimethylethyl 2-chloro-3-methoxymethyloxirane-carboxylate；tert-butyl 2-chloro-3-(methoxymethyl)oxirane-2-carboxylate
• CAS: 102142-77-8
• 化学式: C₉H₁₅ClO₄
• 分子量: 222.669
• InChiKey: BLMOSVPBCUOIDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  48.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲氧基乙醛 、 2,2-二氯乙酸叔丁酯 、 potassium tert-butylate 以 四氢呋喃 、 水 为溶剂， 生成 1,1-dimethylethyl-2-chloro-3-methoxymethyloxirane-carboxylate
  参考文献：
  名称：

  1-dethia-2-thia-cephalosporanic acids

  摘要：

  1-德西亚-2-硫代头孢菌素酸衍生物的新颖式样的分子式为##STR1## 其中R选自##STR2## Ra是有机基团，R.sub.i和R.sub.j分别选自氢、脂肪、芳香和杂环的群，或者与它们附着的氮原子一起形成一个可选取代的环，或者R.sub.b NH--，R.sub.b是可选取代的碳环或杂环芳基，R.sub.1和--COM如规范所定义，R.sub.4是氢或甲氧基，n.sub.2为0、1或2，它们的无毒、药用可接受的酸盐以拉丁或光学活性形式具有抗生素活性，并且它们的制备和新颖中间体。

  公开号：

  US05663164A1

文献信息

• 4-thia-1-aza-bicyclo[4,2,0]oct-2-ene derivatives
  申请人：Roussel-Uclaf

  公开号：US05385897A1

  公开（公告）日：1995-01-31

  A compound selected from the group consisting of a compound of the formula ##STR1## wherein R is selected from the group consisting of ##STR2## and R.sub.b --NH--, Ra is an organic radical, Ri and Rj are individually selected from the group consisting of hydrogen, aliphatic hydrocarbon, aromatic hydrocarbon and heterocycle or taken together with the nitrogen atom to which they are attached form an optionally substituted ring, Rb is selected from the group consisting of carbocyclic aryl and heterocyclic aryl, both optionally substituted, R.sub.1A is selected from the group consisting of ##STR3## R.sub.A ' and R.sub.B ' are individually selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms, Z.sub.A is selected from the group consisting of a simple bond, --O-- and optionally oxidize sulfur, R.sub.3A is selected from the group consisting of optionally substituted carbocyclic aryl and heterocyclic aryl, optionally substitute quaternary ammonium, acetyl, carbamoyl, alkoxycarbonyl, alkyl and haloalkyl of 1 to 4 carbon atoms, --CN and azido, R.sub.4 is selected from the group consisting of hydrogen and methoxy, A is selected from the group consisting of hydrogen, alkali metal, alkaline earth metal, magnesium, --NH.sub.4, an organic amine and esterified carboxy or --COOA is --COO.sup..crclbar., n.sub.2 is an integer from 0 to 2 and their non-toxic, pharmaceutical acceptable acid addition salts having excellent antibiotic activity.

  从下列化合物中选择一种化合物，该化合物的公式为##STR1##其中R选自##STR2##和R.sub.b --NH--的群组，Ra是有机基团，Ri和Rj分别选自氢、脂肪烃基、芳香烃基和杂环或与它们连接的氮原子一起形成一个可选取代的环，Rb选自可选取代的碳环芳基和杂环芳基，R.sub.1A选自##STR3##R.sub.A'和R.sub.B'分别选自氢和1至4个碳原子的烷基，Z.sub.A选自简单键、--O--和可选氧化的硫，R.sub.3A选自可选取代的碳环芳基和杂环芳基、可选取代的季铵、乙酰、氨基甲酰、烷氧羰基、1至4个碳原子的烷基和卤代烷基、--CN和偶氮基，R.sub.4选自氢和甲氧基，A选自氢、碱金属、碱土金属、镁、--NH.sub.4、有机胺和酯化羧基或--COOA为--COO.sup..crclbar.，n.sub.2是0至2的整数，以及它们的无毒、药用可接受的酸加成盐具有优异的抗生素活性。
• 4-thia-1-aza-bicyclo\x9b4,2,0!oct-2-ene antibiotics
  申请人：Roussel UCLAF

  公开号：US05683996A1

  公开（公告）日：1997-11-04

  A compound selected from the group consisting of a compound of the formula ##STR1## wherein R is selected from the group consisting of ##STR2## and R.sub.b --NH--, Ra is an organic radical, Ri and Rj are individually selected from the group consisting of hydrogen, aliphatic hydrocarbon, aromatic hydrocarbon and heterocycle or taken together with the nitrogen atom to which they are attached form an optionally substituted ring, Rb is selected from the group consisting of carbocyclic aryl and heterocyclic aryl, both optionally substituted, R.sub.1A is selected from the group consisting of ##STR3## and ##STR4## are individually selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms, Z.sub.A is selected from the group consisting of a simple bond, --O-- and optionally oxidized sulfur, R.sub.3A is selected from the group donsisting of optionally substituted carbocyclic aryl and heterocyclic aryl, optionally substitute quaternary ammonium, acetyle, carbamoyl, alkoxycarbonyl, alkyl and haloalkyl of 1 to 4 carbon atoms, --CN and azido, R.sub.4 is selected from the group consisting of hydrogen and methoxy, A is selected from the group consisting of hydrogen, alkali metal, alkaline earth metal, magnesium, --NH.sub.4, an organic amine and esterified carboxy or COOA is --COO.sup.--, n.sub.2 is an integer from 0 to 2 and their non-toxic, pharmaceutical acceptable acid addition salts having excellent antibiotic activity.

  从以下化合物组中选择一种化合物：##STR1## 其中R从以下组中选择：##STR2## 和R.sub.b --NH--，Ra为有机基团，Ri和Rj分别从氢，脂肪烃，芳香烃和杂环中选择，或与它们附着的氮原子一起形成一个可选取代的环，Rb从碳环芳烃和杂环芳烃中选择，两者都可以选择性地取代，R.sub.1A从以下组中选择：##STR3## 和##STR4##，分别从氢和1至4碳原子的烷基中选择，Z.sub.A从以下组中选择：简单键，--O--和可选氧化硫，R.sub.3A从以下组中选择：可选取代的碳环芳烃和杂环芳烃，可选取代的季铵盐，乙酰基，氨基甲酰，烷氧羰基，1至4碳原子的烷基和卤代烷基，--CN和偶氮基，R.sub.4从以下组中选择：氢和甲氧基，A从氢，碱金属，碱土金属，镁，--NH.sub.4，有机胺和酯化羧基或COOA为--COO.sup.--中选择，n.sub.2是从0到2的整数，它们是非毒性的，药学上可接受的酸盐，具有优异的抗生素活性。
• US5385897A
  申请人：——

  公开号：US5385897A

  公开（公告）日：1995-01-31
• US5683996A
  申请人：——

  公开号：US5683996A

  公开（公告）日：1997-11-04
• 1-dethia-2-thia-cephalosporanic acids
  申请人：Roussel Uclaf

  公开号：US05663164A1

  公开（公告）日：1997-09-02

  Novel 1-dethia-2-thia-cephalosporanic acid derivatives of the formula ##STR1## wherein R is selected from the group consisting of ##STR2## Ra is an organic radical, R.sub.i and R.sub.j are individually selected from the group consisting of hydrogen, aliphatic, aromatic and heterocycle or taken together with the nitrogen atom to which they are attached form an optionally substituted cycle or R.sub.b NH--, R.sub.b is optionally substituted carbocyclic or heterocyclic aryl, R.sub.1 and --COM are as defined in the specification, R.sub.4 is hydrogen or methoxy, n.sub.2 is 0, 1 or 2 and their non-toxic, pharmaceutically acceptable acid addition salts in racemic or optically active form having antibiotic activity and their preparation and novel intermediates.

  1-德西亚-2-硫代头孢菌素酸衍生物的新颖式样的分子式为##STR1## 其中R选自##STR2## Ra是有机基团，R.sub.i和R.sub.j分别选自氢、脂肪、芳香和杂环的群，或者与它们附着的氮原子一起形成一个可选取代的环，或者R.sub.b NH--，R.sub.b是可选取代的碳环或杂环芳基，R.sub.1和--COM如规范所定义，R.sub.4是氢或甲氧基，n.sub.2为0、1或2，它们的无毒、药用可接受的酸盐以拉丁或光学活性形式具有抗生素活性，并且它们的制备和新颖中间体。