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(l)-N-[3-(4-isopropylphenyl)-2-oxooxazolidin-5-ylmethyl]acetamide | 96800-53-2

中文名称
——
中文别名
——
英文名称
(l)-N-[3-(4-isopropylphenyl)-2-oxooxazolidin-5-ylmethyl]acetamide
英文别名
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
(l)-N-[3-(4-isopropylphenyl)-2-oxooxazolidin-5-ylmethyl]acetamide化学式
CAS
96800-53-2
化学式
C15H20N2O3
mdl
——
分子量
276.335
InChiKey
XLZLIRFYWVMURC-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    20
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.47
  • 拓扑面积:
    58.6
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    4-异丙基苯异氰酸酯1,3-丙二硫醇sodium hydroxide 、 sodium azide 、 18-冠醚-6三正丁基氧化磷三乙胺 、 lithium bromide 作用下, 以 四氢呋喃N,N-二甲基甲酰胺 、 xylene 为溶剂, 反应 27.0h, 生成 (l)-N-[3-(4-isopropylphenyl)-2-oxooxazolidin-5-ylmethyl]acetamide
    参考文献:
    名称:
    Antibacterials. Synthesis and structure-activity studies of 3-aryl-2-oxooxazolidines. 1. The B group
    摘要:
    The synthesis and structure/activity studies of the effect of varying the "B" group in a series of oxazolidinone antibacterials (I) are described. Two synthetic routes were used: (1) alkylation of aniline with glycidol followed by dialkyl carbonate heterocyclization to afford I (A = H, B = OH), whose arene ring was further elaborated by using electrophilic aromatic substitution methodology; (2) cycloaddition of substituted aryl isocyanates with epoxides to give A and B with a variety of values. I with B = OH or Br were converted to other "B" functionalities by using SN2 methodology. Antibacterial evaluation of compounds I with A = acetyl, isopropyl, methylthio, methylsulfinyl, methylsulfonyl, and sulfonamido and a variety of different "B" groups against Staphylococcus aureus and Enterococcus faecalis concluded that the compounds with B = aminoacyl, and particularly acetamido, were the most active of those examined in each A series, possessing MICs in the range of 0.5-4 micrograms/mL for the most active compounds described.
    DOI:
    10.1021/jm00128a003
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文献信息

  • BORON CONTAINING SMALL MOLECULES
    申请人:HERNANDEZ Vincent S.
    公开号:US20110124597A1
    公开(公告)日:2011-05-26
    This invention provides, among other things, novel compounds useful for treating bacterial infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent.
    这项发明提供了多种新型化合物,用于治疗细菌感染,包括含有这些化合物的药物组合物,以及这些化合物与至少一种其他治疗有效剂的组合。
  • Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents
    申请人:E.I. DU PONT DE NEMOURS AND COMPANY
    公开号:EP0127902A2
    公开(公告)日:1984-12-12
    Novel aminomethyl oxooxazolidinyl benzene derivatives, including the sulfides, sulfoxides, sulfones and sulfonamides, such as (I)-N-[3-[4- (methylsulfonyl) phenyl] -2- oxooxazolidin -5- ylmethyl] carbamic acid, methyl ester possess useful antibacterial activity.
    新型氨甲基恶恶唑烷基苯衍生物,包括硫化物、硫醚、砜和磺酰胺,如 (I)-N-[3-[4-(甲基磺酰基)苯基] -2- 恶恶唑烷-5-甲基]氨基甲酸甲酯,具有有用的抗菌活性。
  • US4705799A
    申请人:——
    公开号:US4705799A
    公开(公告)日:1987-11-10
  • Antibacterials. Synthesis and structure-activity studies of 3-aryl-2-oxooxazolidines. 1. The B group
    作者:Walter A. Gregory、David R. Brittelli、C. L. J. Wang、Mark A. Wuonola、Ronald J. McRipley、David C. Eustice、Virginia S. Eberly、Andrew M. Slee、Martin Forbes、P. T. Bartholomew
    DOI:10.1021/jm00128a003
    日期:1989.8
    The synthesis and structure/activity studies of the effect of varying the "B" group in a series of oxazolidinone antibacterials (I) are described. Two synthetic routes were used: (1) alkylation of aniline with glycidol followed by dialkyl carbonate heterocyclization to afford I (A = H, B = OH), whose arene ring was further elaborated by using electrophilic aromatic substitution methodology; (2) cycloaddition of substituted aryl isocyanates with epoxides to give A and B with a variety of values. I with B = OH or Br were converted to other "B" functionalities by using SN2 methodology. Antibacterial evaluation of compounds I with A = acetyl, isopropyl, methylthio, methylsulfinyl, methylsulfonyl, and sulfonamido and a variety of different "B" groups against Staphylococcus aureus and Enterococcus faecalis concluded that the compounds with B = aminoacyl, and particularly acetamido, were the most active of those examined in each A series, possessing MICs in the range of 0.5-4 micrograms/mL for the most active compounds described.
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