1-(3-Nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid methyl ester | 397310-93-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-Nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid methyl ester
• 英文别名: methyl 2-(3-nitrophenyl)-5-oxo-1H-pyrazole-4-carboxylate
• CAS: 397310-93-9
• 化学式: C₁₁H₉N₃O₅
• 分子量: 263.21
• InChiKey: CGVZBOGUYZVYTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(3-Nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以60%的产率得到1-(3-Nitrophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic Acid
  参考文献：
  名称：

  Heterocyclic mutilin esters and their use as antibacterials

  摘要：

  Pleuromutilin化合物的公式为：1在抗菌疗法中有用。

  公开号：

  US20040058937A1

文献信息

• HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1309565A1

  公开（公告）日：2003-05-14
• US6878704B2
  申请人：——

  公开号：US6878704B2

  公开（公告）日：2005-04-12
• [EN] HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS<br/>[FR] ESTERS DE MUTILINE HETEROCYCLIQUES ET LEUR UTILISATION EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2002012199A1

  公开（公告）日：2002-02-14

  Pleuromutilin compounds of formula (I), (II) in which: R1 is: a 5- or 6-membered aromatic or heteroaromatic ring attached via a ring carbon atom, preferably pyridyl, and comprising a substituent selected from halo, R?7O-, R7S- or R8R9¿N- on a ring carbon adjacent to the carbon of attachment; or a 5- or 6-membered dihydro heteroaromatic ring attached via a ring carbon atom and comprising one oxygen or one or two nitrogen atoms and optionally fused to phenyl, a 5- or 6-membered heteroaryl ring comprising one or two nitrogen atoms or a 5- or 6-membered heterocyclyl ring comprising a sulphur, oxygen or nitrogen atom and further comprising a substituent selected from oxo or thioxo on a ring carbon adjacent to the carbon of attachment; a 6-membered tetrahydro heteroaromatic ring attached via a ring carbon atom comprising one or two nitrogen atoms and further comprising two substituents independently selected from oxo or thioxo wherein one of the substituents is on a ring carbon adjacent to the carbon of attachment; or a bicyclic heteroyaryl ring attached via a ring carbon atom and comprising nine or ten ring atoms and from one to four nitrogen atoms; wherein the ring of R1 may be optionally further substituted; R2 is vinyl or ethyl; R3 is H, OH or F and R4 is H, or R3 is H and R4 is F and R?5 and R6¿ together form an oxo group; or R?3 and R4¿ is each H and R5 is H, or OH and R6 is H or H5 is H and R6 is H or OH; R7 is optionally substituted C¿(1-6)?alkyl; and R?8 and R9¿ are independently selected from hydrogen or optionally substituted C¿(1-6)?alkyl, present antibacterial activity.
• Heterocyclic mutilin esters and their use as antibacterials
  申请人：——

  公开号：US20040058937A1

  公开（公告）日：2004-03-25

  Pleuromutilin compounds of the formula: 1 are of use in anti-bacterial therapy.

  Pleuromutilin化合物的公式为：1在抗菌疗法中有用。