Benzyl 3-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylate | 90602-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: Benzyl 3-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylate
• 英文别名: Benzyl 3-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one-2carboxylate；benzyl 3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 90602-26-9
• 化学式: C₁₄H₁₂ClNO₃
• 分子量: 277.707
• InChiKey: KVEJFJSRIDQDAE-UHFFFAOYSA-N

物化性质

• 沸点：
  442.4±40.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzyl 3-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylate 生成 Benzyl 6-(1-hydroxyethyl)-3-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylate
  参考文献：
  名称：

  Process for preparing

  摘要：

  揭示了一种制备3-取代硫-6-(1'-羟乙基)-7-氧代-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸(I)的过程##STR1##其中X是氯、溴、对甲苯磺酰基、甲磺酰基或类似物等离去基团；R.sup.8包括氢、烷基、烯基、芳基和芳基烷基等，化合物I及其药用可接受的O-和羧基衍生物可用作抗生素。

  公开号：

  US04820817A1
• 作为产物：
  描述：

  benzyl 1-azabicyclo[3.2.0]heptan-3,7-dione-2-carboxylate 在 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Benzyl 3-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylate
  参考文献：
  名称：

  Process for preparing

  摘要：

  揭示了一种制备3-取代硫-6-(1'-羟乙基)-7-氧代-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸(I)的过程##STR1##其中X是氯、溴、对甲苯磺酰基、甲磺酰基或类似物等离去基团；R.sup.8包括氢、烷基、烯基、芳基和芳基烷基等，化合物I及其药用可接受的O-和羧基衍生物可用作抗生素。

  公开号：

  US04820817A1

文献信息

• 6-(1'-Hydroxyethyl)-3-substituted
  申请人：Merck & Co., Inc.

  公开号：US04424230A1

  公开（公告）日：1984-01-03

  Disclosed are 6-(1'-hydroxyethyl)-3-substituted amino-1-azabicyclo\x9b3.2.0!hept-2-en-7-one-2-carboxylic acids (I): \n' ##STR1## wherein R' and R" are independently selected from H, substituted and unsubstituted alkyl and aralkyl groups, or together form a substituted or unsubstituted cyclic group. Such compounds and their O- and carboxyl derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds, pharmaceutical compositions comprising such compounds and methods of treatment comprising administering such compounds and compositions when an antibiotic effect is indicated.

  揭示了6-(1'-羟乙基)-3-取代氨基-1-氮杂双环[3.2.0]庚-2-烯-7-酮-2-羧酸(I)：其中R'和R"分别选自H、取代和未取代的烷基和芳基烷基，或者一起形成取代或未取代的环状基团。这些化合物及其O-和羧酸衍生物可用作抗生素。还揭示了制备这类化合物的方法、包含这类化合物的药物组合物以及在需要抗生素效果时给予这类化合物和组合物的治疗方法。
• 6- And 6,6-disubstituted-3-substituted
  申请人：Merck & Co., Inc.

  公开号：US04530841A1

  公开（公告）日：1985-07-23

  Disclosed are 6- and 6,6-disubstituted-3-substituted amino-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylic acids (I): ##STR1## wherein R.sup.1 and R.sup.2 are, inter alia, independently selected from the group consisting of hydrogen, substituted and unsubstituted: alkyl, aryl, and aralkyl; and R' and R" are independently selected from the group consisting of: H, substituted and unsubstituted alkyl and aralkyl, or together form a substituted or unsubstituted cyclic group. Such compounds and their pharmaceutically acceptable salt, ester and amide derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds, pharmaceutical compositions comprising such compounds and methods of treatment comprising administering compounds and compositions when an antibiotic effect is indicated.

  揭示了6-和6,6-二取代-3-取代氨基-1-氮杂双环[3.2.0]庚-2-烯-7-酮-2-羧酸（I）：其中R.sup.1和R.sup.2等可独立地选择自氢、取代和未取代的烷基、芳基和芳基甲基等组成的群；R'和R"等可独立地选择自H、取代和未取代的烷基和芳基甲基，或者一起形成取代或未取代的环状基团。这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。还公开了制备这类化合物的方法、包含这类化合物的药物组合物以及在需要抗生素效果时给予化合物和组合物的治疗方法。
• 6-(1-Hydroxyethyl)-3-substituted-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-ca
  申请人：Merck & Co., Inc.

  公开号：US04318912A1

  公开（公告）日：1982-03-09

  Disclosed are 6-(1'-hydroxyethyl)-3-substituted-1-azabicyclo[3.2.0]hept-2-en-7-one-2-car boxylic acids(I): ##STR1## wherein X is halo, oxygen (the 2-3 bond is saturated and the species I exists as the carboxylate salt or ester), or --OR wherein R is, inter alia, acyl, alkyl or aralkyl. Such compounds and their O- and carboxyl derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds, pharmaceutical compositions comprising such compounds and methods of treatment comprising administering such compounds and compositions when an antibiotic effect is indicated.

  揭示了6-(1'-羟乙基)-3-取代-1-氮杂双环[3.2.0]庚-2-烯-7-酮-2-羧酸(I)：其中X是卤素、氧（2-3键饱和，且该物种I存在为羧酸盐或酯），或--OR其中R是酰基、烷基或芳基烷基等。这些化合物及其O-和羧基衍生物可用作抗生素。还公开了制备这类化合物的方法、包含这类化合物的药物组合物以及在需要抗生素效果时给予这类化合物和组合物的治疗方法。
• 3-Halo-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylic acid
  申请人：Merck & Co., Inc.

  公开号：US04310538A1

  公开（公告）日：1982-01-12

  Disclosed is 3-halo-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylic acid (I): ##STR1## Such compounds, wherein X is halo, and their pharmaceutically acceptable salt, ester and amide derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds, pharmaceutical compositions comprising such compounds and methods of treatment comprising administering such compounds and compositions when an antibiotic effect is indicated.

  揭示了3-卤代-1-氮杂双环[3.2.0]庚-2-烯-7-酮-2-羧酸（I）：##STR1## 这类化合物中，X代表卤素，以及它们的药用可接受的盐、酯和酰胺衍生物可用作抗生素。还揭示了制备这类化合物的方法，包括这类化合物的药物组合物以及在需要抗生素效果时给予这类化合物和组合物的治疗方法。
• Process for preparing carbapenem compounds
  申请人：Merck & Co., Inc.

  公开号：US04707547A1

  公开（公告）日：1987-11-17

  Disclosed are 6- and 6,6-disubstituted-3-substituted amino-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylic acids (I): ##STR1## wherein R.sup.1 and R.sup.2 are, inter alia, independently selected from the group consisting of hydrogen, substituted and unsubstituted: alkyl, aryl, and aralkyl; and R' and R" are independently selected from the group consisting of: H, substituted and unsubstituted alkyl and aralkyl, or together form a substituted or unsubstituted cyclic group. Such compounds and their pharmaceutically acceptable salt, ester and amide derivatives are useful as antibiotics. Also disclosed are processes for the preparation of such compounds, pharmaceutical compositions comprising such compounds and methods of treatment comprising administering compounds and compositions when an antibiotic effect is indicated.

  本发明涉及6-和6,6-二取代-3-取代氨基-1-氮杂双环[3.2.0]庚-2-烯-7-酮-2-羧酸(I)：其中R.sup.1和R.sup.2是从氢，取代和未取代的：烷基，芳基和芳烷基等组成的群体中独立选择的；R'和R"分别从H，取代和未取代的烷基和芳烷基中独立选择，或者一起形成取代或未取代的环状基团。这些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。还公开了制备这些化合物的方法，包括包含这些化合物的制药组合物和在需要抗生素效果时给予化合物和组合物的治疗方法。