Methyl 5-nitro-2-pentoxybenzoate | 627541-12-2

• 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: Methyl 5-nitro-2-pentoxybenzoate
• CAS: 627541-12-2
• 化学式: C₁₃H₁₇NO₅
• 分子量: 267.282
• InChiKey: AZYGXQXMVHHJSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 5-nitro-2-pentoxybenzoate 在 tin(II) chloride dihdyrate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成
  参考文献：
  名称：

  Syntheses and studies of hydantoin derivatives as potential anti-tuberculosis inhibitors

  摘要：

  A short and efficient synthesis of (Z)-2-substituted-5-(4-((2-substitued-5-oxoimidazolidin-4-ylidene)methyl)benzamido)benzoic acid derivatives (8a-g) as potential type of FabH inhibitors is described. Their structures were confirmed by MS, NOE and H-1 NMR. (C) 2011 Wu Zhong. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.11.017
• 作为产物：
  描述：

  1-溴戊烷 、 2-羟基-5-硝基苯甲酸甲酯 在 四丁基碘化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 Methyl 5-nitro-2-pentoxybenzoate
  参考文献：
  名称：

  Syntheses and studies of hydantoin derivatives as potential anti-tuberculosis inhibitors

  摘要：

  A short and efficient synthesis of (Z)-2-substituted-5-(4-((2-substitued-5-oxoimidazolidin-4-ylidene)methyl)benzamido)benzoic acid derivatives (8a-g) as potential type of FabH inhibitors is described. Their structures were confirmed by MS, NOE and H-1 NMR. (C) 2011 Wu Zhong. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.11.017

文献信息

• [EN] AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE<br/>[FR] DERIVES D'AMIDINE INHIBITEURS DE L'OXYDE NITRIQUE SYNTHASE
  申请人：ASTRAZENECA AB

  公开号：WO2001046170A1

  公开（公告）日：2001-06-28

  There are provided novel compounds of formula (I) wherein R?1, R2, R3¿, X and Z are as defined in the Specification and optical isomers, racemates and tautomers thereof and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme nitric oxide synthase.
• [EN] AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE<br/>[FR] DERIVES D'AMIDINE INHIBITEURS D'OXYDE NITRIQUE SYNTHASE
  申请人：ASTRAZENECA AB

  公开号：WO2001046171A1

  公开（公告）日：2001-06-28

  There are provided novel compounds of formula (I) wherein R1, R2, X, Y and Z are as defined in the Specification and optical isomers, racemates and tautomers thereof and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme nitric oxide synthase.
• Syntheses and studies of hydantoin derivatives as potential anti-tuberculosis inhibitors
  作者：Yan Liu、Wu Zhong、Song Li

  DOI：10.1016/j.cclet.2011.11.017

  日期：2012.2

  A short and efficient synthesis of (Z)-2-substituted-5-(4-((2-substitued-5-oxoimidazolidin-4-ylidene)methyl)benzamido)benzoic acid derivatives (8a-g) as potential type of FabH inhibitors is described. Their structures were confirmed by MS, NOE and H-1 NMR. (C) 2011 Wu Zhong. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.