N-(benzyloxycarbonyl)-3,4-(1',4'-dioxanyl)phenylglycine | 73101-08-3

• 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: N-(benzyloxycarbonyl)-3,4-(1',4'-dioxanyl)phenylglycine
• 英文别名: 2-{[(Benzyloxy)carbonyl]amino}-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid；2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethoxycarbonylamino)acetic acid
• CAS: 73101-08-3
• 化学式: C₁₈H₁₇NO₆
• 分子量: 343.336
• InChiKey: YUIPCSYZJGWSNP-UHFFFAOYSA-N

物化性质

• 沸点：
  565.7±50.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(benzyloxycarbonyl)-3,4-(1',4'-dioxanyl)phenylglycine 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以64%的产率得到氨基-(2,3-二氢-苯并[1,4]二噁英-6-基)-乙酸
  参考文献：
  名称：

  Orally active cephalosporins and penicillins

  摘要：

  A number of orally active cephalosporins and penicillins with interesting biological activity were synthesized. Two of these, 7-[[[3,4-(methylenedioxy)phenyl]glycyl]amino]deacetoxycephalosporanic acid and 7-[[2-(2,3-dihydro-5-benzofuranyl)glycyl]amino]deacetoxycephalosporanic acid were considerably more active than cephalexin both in vitro and in vivo against staphylococcal and streptococcal infections.

  DOI：

  10.1021/jm00178a011
• 作为产物：
  描述：

  1,4-苯并二恶烷 、 {[(苄氧基)羰基]氨基}(羟基)乙酸 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以68%的产率得到N-(benzyloxycarbonyl)-3,4-(1',4'-dioxanyl)phenylglycine
  参考文献：
  名称：

  Orally active cephalosporins and penicillins

  摘要：

  A number of orally active cephalosporins and penicillins with interesting biological activity were synthesized. Two of these, 7-[[[3,4-(methylenedioxy)phenyl]glycyl]amino]deacetoxycephalosporanic acid and 7-[[2-(2,3-dihydro-5-benzofuranyl)glycyl]amino]deacetoxycephalosporanic acid were considerably more active than cephalexin both in vitro and in vivo against staphylococcal and streptococcal infections.

  DOI：

  10.1021/jm00178a011

文献信息

• Orally active cephalosporins and penicillins
  作者：E. H. W. Boehme、R. E. Bambury、R. J. Baumann、R. C. Erickson、B. L. Harrison、P. F. Hoffman、F. J. McCarty、R. A. Schnettler、M. J. Vaal、D. L. Wenstrup

  DOI：10.1021/jm00178a011

  日期：1980.4

  A number of orally active cephalosporins and penicillins with interesting biological activity were synthesized. Two of these, 7-[[[3,4-(methylenedioxy)phenyl]glycyl]amino]deacetoxycephalosporanic acid and 7-[[2-(2,3-dihydro-5-benzofuranyl)glycyl]amino]deacetoxycephalosporanic acid were considerably more active than cephalexin both in vitro and in vivo against staphylococcal and streptococcal infections.