2-Ethoxycarbonylmethyl-morpholine-4-carboxylic acid benzyl ester

• 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: 2-Ethoxycarbonylmethyl-morpholine-4-carboxylic acid benzyl ester
• 英文别名: Benzyl 2-((ethoxycarbonyl)methyl)morpholine-4-carboxylate；benzyl 2-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
• 化学式: C₁₆H₂₁NO₅
• 分子量: 307.346
• InChiKey: WMOMMPYQGPFAAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Ethoxycarbonylmethyl-morpholine-4-carboxylic acid benzyl ester 在 potassium trimethylsilonate 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-(3-Ethoxycarbonyl-2-oxo-propyl)-morpholine-4-carboxylic acid benzyl ester
  参考文献：
  名称：

  Dihydropyrimidinones—a new class of anti-Staphylococcal antibiotics

  摘要：

  We report the synthesis and pharmacological evaluation of new derivatives of natural dipeptide antibiotic TAN-1057 A, B. In the course of this program, we identified novel analogues of the natural product that display similar antibacterial activity and showed improved tolerability. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00880-6
• 作为产物：
  描述：

  氯甲酸苄酯 、 2-(吗啉-2-基)乙酸乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-Ethoxycarbonylmethyl-morpholine-4-carboxylic acid benzyl ester
  参考文献：
  名称：

  Dihydropyrimidinones—a new class of anti-Staphylococcal antibiotics

  摘要：

  We report the synthesis and pharmacological evaluation of new derivatives of natural dipeptide antibiotic TAN-1057 A, B. In the course of this program, we identified novel analogues of the natural product that display similar antibacterial activity and showed improved tolerability. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00880-6

文献信息

• Dihydropyrimidinones—a new class of anti-Staphylococcal antibiotics
  作者：Michael Brands、Rainer Endermann、Reinhold Gahlmann、Jochen Krüger、Siegfried Raddatz

  DOI：10.1016/s0960-894x(02)00880-6

  日期：2003.1

  We report the synthesis and pharmacological evaluation of new derivatives of natural dipeptide antibiotic TAN-1057 A, B. In the course of this program, we identified novel analogues of the natural product that display similar antibacterial activity and showed improved tolerability. (C) 2002 Elsevier Science Ltd. All rights reserved.