4,6-dichloro-2-pyrimidinyl carbamic acid ethyl ester | 496769-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,6-dichloro-2-pyrimidinyl carbamic acid ethyl ester
• 英文别名: ethyl 4,6-dichloro-2-pyrimidylcarbamate；ethyl N-(4,6-dichloropyrimidin-2-yl)carbamate
• CAS: 496769-48-3
• 化学式: C₇H₇Cl₂N₃O₂
• 分子量: 236.057
• InChiKey: HKGYYHJTIVVSIC-UHFFFAOYSA-N

物化性质

• 熔点：
  117-119 °C
• 密度：
  1.515±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,6-dichloro-2-pyrimidinyl carbamic acid ethyl ester 在 Ra-Ni sodium azide 、 硫酸 、 氢气 、 硝酸 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 异丙醇 为溶剂， 反应 8.5h， 生成 ethyl {4-amino-6-[[4-(diethylamino)-1-methylbutyl]amino]-5-nitropyrimidin-2-yl}carbamate
  参考文献：
  名称：

  A new 2-carbamoyl pteridine that inhibits mycobacterial FtsZ

  摘要：

  The preparation of a new 2-carbarnoyl pteridine, its activity data against FtsZ from M. tuberculosis (Mtb), and in vitro antibacterial data against Mtb strain H37Ra are presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.012
• 作为产物：
  描述：

  乙醇 、 4,6-dichloro-2-pyrimidinyl isocyanate 以 苯 为溶剂， 以4.4 g的产率得到4,6-dichloro-2-pyrimidinyl carbamic acid ethyl ester
  参考文献：
  名称：

  A new 2-carbamoyl pteridine that inhibits mycobacterial FtsZ

  摘要：

  The preparation of a new 2-carbarnoyl pteridine, its activity data against FtsZ from M. tuberculosis (Mtb), and in vitro antibacterial data against Mtb strain H37Ra are presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.012

文献信息

• Novel pyridopyrazine and pyrimidothiazine derivatives as FtsZ inhibitors
  作者：Bini Mathew、Shefali Srivastava、Larry J. Ross、William J. Suling、E. Lucile White、Lisa K. Woolhiser、Anne J. Lenaerts、Robert C. Reynolds

  DOI：10.1016/j.bmc.2011.09.062

  日期：2011.12

  A series of pyridopyrazine and pyrimidothiazine derivatives have been synthesized and their activity against FtsZ from Mycobacterium tuberculosis (Mtb) and in vitro antibacterial activity against Mtb H37Ra and Mtb H(37)Rv are reported. Certain analogs described herein showed moderate to good inhibitory activity. (C) 2011 Elsevier Ltd. All rights reserved.
• A new 2-carbamoyl pteridine that inhibits mycobacterial FtsZ
  作者：R.C. Reynolds、S. Srivastava、L.J. Ross、W.J. Suling、E.L. White

  DOI：10.1016/j.bmcl.2004.04.012

  日期：2004.6

  The preparation of a new 2-carbarnoyl pteridine, its activity data against FtsZ from M. tuberculosis (Mtb), and in vitro antibacterial data against Mtb strain H37Ra are presented. (C) 2004 Elsevier Ltd. All rights reserved.