3-cyano-2,5-dihydrofuran | 155448-30-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 3-cyano-2,5-dihydrofuran
• 英文别名: 2,5-dihydrofuran-3-carbonitrile
• CAS: 155448-30-9
• 化学式: C₅H₅NO
• 分子量: 95.1008
• InChiKey: YXUASIAWVURRED-UHFFFAOYSA-N

物化性质

• 沸点：
  201.8±40.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-cyano-2,5-dihydrofuran 在 sodium carbonate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of C2-carbon-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides as HIV-1 integrase inhibitors

  摘要：

  Integration of viral DNA into the host cell genome is an obligatory process for successful replication of HIV-1. Integrase catalyzes the insertion of viral DNA into the target DNA and is a validated target for drug discovery. Herein, we report the synthesis, antiviral activity and pharmacokinetic profiles of several C2-carbon-linked heterocyclic pyrimidinone-4-carboxamides that inhibit the strand transfer step of the integration process. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.060

文献信息

• 7-(aminomethyl-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)quinolonecarboxylic and
  申请人：Bayer Aktiengesellschaft

  公开号：US05395944A1

  公开（公告）日：1995-03-07

  7-(Aminomethyl-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)quinolonecarboxylic acid and 7-(aminomethyl-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)naphthyridonecarboxyli c acid derivatives The invention relates to novel derivatives of quinolonecarboxylic acid and naphthyridonecarboxylic acid which are substituted in the 7 position by a 1- (or 5-)aminomethyl-2- (or 3-)oxa-7-aza-bicyclo[3.3.0]oct-7-yl residue, their salts, processes for their preparation and antibacterial agents containing these compounds.

  这项发明涉及一种新的喹诺酸和萘啶酸衍生物，它们在7位被1-(或5-)氨甲基-2-(或3-)氧杂-7-氮杂-双环[3.3.0]辛-7-基残基取代，其盐，它们的制备方法以及含有这些化合物的抗菌剂。
• Preparation of 7-(aminomethyl-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)
  申请人：Bayer Aktiengesellschaft

  公开号：US05621105A1

  公开（公告）日：1997-04-15

  ##STR1## in which Z represents a residue of the structure ##STR2## A represents N or C--R.sup.5. The end products are antibacterially active.

  其中Z代表结构式##STR2##的残基，A代表N或C--R.sup.5。最终产物具有抗菌活性。
• Synthesis and evaluation of C2-carbon-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides as HIV-1 integrase inhibitors
  作者：B. Narasimhulu Naidu、Margaret E. Sorenson、Manoj Patel、Yasutsugu Ueda、Jacques Banville、Francis Beaulieu、Sagarika Bollini、Ira B. Dicker、Helen Higley、Zeyu Lin、Lori Pajor、Dawn D. Parker、Brian J. Terry、Ming Zheng、Alain Martel、Nicholas A. Meanwell、Mark Krystal、Michael A. Walker

  DOI：10.1016/j.bmcl.2014.11.060

  日期：2015.2

  Integration of viral DNA into the host cell genome is an obligatory process for successful replication of HIV-1. Integrase catalyzes the insertion of viral DNA into the target DNA and is a validated target for drug discovery. Herein, we report the synthesis, antiviral activity and pharmacokinetic profiles of several C2-carbon-linked heterocyclic pyrimidinone-4-carboxamides that inhibit the strand transfer step of the integration process. (C) 2014 Elsevier Ltd. All rights reserved.