(4-{2-(Diethoxy-thiophosphoryloxy)-2-oxo-1-[(Z)-prop-2-ynyloxyimino]-ethyl}-thiazol-2-yl)-carbamic acid tert-butyl ester | 306748-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-{2-(Diethoxy-thiophosphoryloxy)-2-oxo-1-[(Z)-prop-2-ynyloxyimino]-ethyl}-thiazol-2-yl)-carbamic acid tert-butyl ester
• CAS: 306748-21-0
• 化学式: C₁₇H₂₄N₃O₇PS₂
• 分子量: 477.499
• InChiKey: MVCOFCVIZUCQBU-MOSHPQCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  117.57
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  (4-{2-(Diethoxy-thiophosphoryloxy)-2-oxo-1-[(Z)-prop-2-ynyloxyimino]-ethyl}-thiazol-2-yl)-carbamic acid tert-butyl ester 在 吡啶 、 N,O-双三甲硅基乙酰胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯甲醚 为溶剂， 生成 (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-prop-2-ynyloxyimino]-acetylamino}-3-(2,6-diamino-pyrimidin-4-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins including against respiratory tract pathogens

  摘要：

  The variety of cephalosporins 1 and 2 which possessed C(3)-aminopyrimidinyl substituents were prepared and evaluated for their antibacterial activities. They exhibited excellent in vitro activities especially against respiratory tract pathogens such as penicillin resistant Streptococus pneumonia, Moraxella catarrhalis and Haemophilus influenza. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00425-x
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 4-二甲氨基吡啶 、 sodium hydroxide 、 potassium carbonate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4-{2-(Diethoxy-thiophosphoryloxy)-2-oxo-1-[(Z)-prop-2-ynyloxyimino]-ethyl}-thiazol-2-yl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins including against respiratory tract pathogens

  摘要：

  The variety of cephalosporins 1 and 2 which possessed C(3)-aminopyrimidinyl substituents were prepared and evaluated for their antibacterial activities. They exhibited excellent in vitro activities especially against respiratory tract pathogens such as penicillin resistant Streptococus pneumonia, Moraxella catarrhalis and Haemophilus influenza. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00425-x