Methyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate | 191487-41-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Methyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate
• 英文别名: methyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
• CAS: 191487-41-9
• 化学式: C₁₀H₁₄N₄O₂
• mdl: MFCD03392092
• 分子量: 222.247
• InChiKey: LWLXMMAIEXYOQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate 在 Rhodococcus erythropolis DSM 6138 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 86.0h， 以98%的产率得到methyl 4-(6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Fungal and bacterial regioselective hydroxylation of pyrimidine heterocycles

  摘要：

  The bacterium Rhodococcus erythropolis is employed to hydroxylate the anxiolytic lesopitron, and this bacterium, together with Agrobacterium sp. and the fungus Beauveria bassiana, are used to extend the field of hydroxylation of heteroaromatic compounds to a series of unexplored pyrimidines. Of all the substrates investigated, only the carbamate 11a is regioselectively hydroxylated by B. bassiana at the C-5 position of the pyrimidine ring; in contrast, the bacteria are able to regioselectively oxidize, when free, the C-2 and/or C-4 positions of the pyrimidine moiety of all the substrates 1a - 12a, up to a maximum of two oxidations. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00301-3
• 作为产物：
  描述：

  1-(2-嘧啶基)哌嗪 、 氯甲酸甲酯 生成 Methyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Fungal and bacterial regioselective hydroxylation of pyrimidine heterocycles

  摘要：

  The bacterium Rhodococcus erythropolis is employed to hydroxylate the anxiolytic lesopitron, and this bacterium, together with Agrobacterium sp. and the fungus Beauveria bassiana, are used to extend the field of hydroxylation of heteroaromatic compounds to a series of unexplored pyrimidines. Of all the substrates investigated, only the carbamate 11a is regioselectively hydroxylated by B. bassiana at the C-5 position of the pyrimidine ring; in contrast, the bacteria are able to regioselectively oxidize, when free, the C-2 and/or C-4 positions of the pyrimidine moiety of all the substrates 1a - 12a, up to a maximum of two oxidations. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00301-3

文献信息

• [EN] NOVEL FUSED PYRROLOCARBAZOLES<br/>[FR] NOUVEAUX PYRROLOCARBAZOLES FONDUS
  申请人：CEPHALON INC

  公开号：WO2005063763A1

  公开（公告）日：2005-07-14

  The present invention relates generally to selected fused pyrrolocarbazoles, including pharmaceutical compositions thereof and methods of treating diseases therewith. The present invention is also directed to intermediates and processes for making these fused pyrrolocarbazoles.

  本发明涉及选定的融合吡咯烷基咔唑，包括其医药组合物及用于治疗疾病的方法。本发明还涉及中间体和制备这些融合吡咯烷基咔唑的方法。
• NOVEL FUSED PYRROLOCARBAZOLES
  申请人：CEPHALON, INC.

  公开号：EP1704148B1

  公开（公告）日：2011-03-02
• Novel Fused Pyrrolocarbazoles
  申请人：Becknell Nadine C.

  公开号：US20100152196A1

  公开（公告）日：2010-06-17

  The present invention relates generally to selected fused pyrrolocarbazoles, including pharmaceutical compositions thereof and methods of treating diseases therewith. The present invention is also directed to intermediates and processes for making these fused pyrrolocarbazoles.
• US7169802B2
  申请人：——

  公开号：US7169802B2

  公开（公告）日：2007-01-30
• US7671064B2
  申请人：——

  公开号：US7671064B2

  公开（公告）日：2010-03-02