benzhydryl (6R)-3-methyl-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | 211946-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzhydryl (6R)-3-methyl-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 211946-56-4
• 化学式: C₂₁H₁₇NO₄S
• 分子量: 379.436
• InChiKey: NFASZJQHGZICHA-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  89
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzhydryl (6R)-3-methyl-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 在 间氯过氧苯甲酸 作用下， 生成 benzhydryl (6R,7Z)-3-methyl-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  The synthesis and evaluation of 2-substituted-7-(alkylidene)cephalosporin sulfones as β-lactamase inhibitors

  摘要：

  A series of 2-substituted-7-(alkylidene)cephalosporin sulfones were prepared and evaluated as beta-lactamase inhibitors. Compound Ile showed excellent activity as an inhibitor of the class C beta-lactamase derived from Enterobacter cloacae, strain P99. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00094-9
• 作为产物：
  描述：

  7-aminodesacetoxycephalosporanic acid benzhydril ester 在 辛酸铑 三氟乙酸 、 methyloxirane 、 亚硝酸异戊酯 作用下， 生成 benzhydryl (6R)-3-methyl-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  A convenient method for the production of 6-oxopenicillinates and 7-oxocephalosporinates

  摘要：

  A convenient and economical method for the preparation of 6-oxopenicillinates and 7-oxocephalosporinates from the corresponding amines is presented. These ketones are key intermediates in the synthesis of inhibitors of beta-lactamase and elastase. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00963-0

文献信息

• A convenient method for the production of 6-oxopenicillinates and 7-oxocephalosporinates
  作者：John D. Buynak、A. Srinivasa Rao、Sirishkumar D. Nidamarthy

  DOI：10.1016/s0040-4039(98)00963-0

  日期：1998.7

  A convenient and economical method for the preparation of 6-oxopenicillinates and 7-oxocephalosporinates from the corresponding amines is presented. These ketones are key intermediates in the synthesis of inhibitors of beta-lactamase and elastase. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.
• The synthesis and evaluation of 2-substituted-7-(alkylidene)cephalosporin sulfones as β-lactamase inhibitors
  作者：John D Buynak、Venkata Ramana Doppalapudi、A.Srinivasa Rao、Sirishkumar D Nidamarthy、Greg Adam

  DOI：10.1016/s0960-894x(00)00094-9

  日期：2000.5

  A series of 2-substituted-7-(alkylidene)cephalosporin sulfones were prepared and evaluated as beta-lactamase inhibitors. Compound Ile showed excellent activity as an inhibitor of the class C beta-lactamase derived from Enterobacter cloacae, strain P99. (C) 2000 Elsevier Science Ltd. All rights reserved.