1-(2-fluoroethyl)-4-iodo-1H-pyrazole | 398152-63-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 1-(2-fluoroethyl)-4-iodo-1H-pyrazole
• 英文别名: 1-(2-fluoroethyl)-4-iodopyrazole
• CAS: 398152-63-1
• 化学式: C₅H₆FIN₂
• 分子量: 240.019
• InChiKey: YFGJEDPZOJQFPI-UHFFFAOYSA-N

物化性质

• 沸点：
  264.0±20.0 °C(Predicted)
• 密度：
  1.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-乙炔基吡啶 、 1-(2-fluoroethyl)-4-iodo-1H-pyrazole 在 copper(l) iodide 、 10% palladium on activated carbon potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.5h， 生成 1-(2-fluoroethyl)-4-(3-pyridylethynyl)pyrazole
  参考文献：
  名称：

  Pesticidal fluoroethyl pyrazoles

  摘要：

  本文披露了一种具有以下结构的氟乙基吡唑化合物：其中A和C分别选自氢、硝基、羧基烷基和羧基卤代烷基所组成的群，B选自氢、硝基、芳基炔基、5-成员杂环和6-成员杂环所组成的群；但要求：A）如果A和C为氢，则B为：1）芳基炔基，其中芳基为a）苯基，可选择地取代为卤、卤代烷基、烷基、烷氧基、氰基，b）六-成员杂环，可选择地取代为卤，或c）五-成员杂环，可选择地取代为卤；2）取代为卤、烷基、卤代烷基或羧基烷基的5-成员杂环；或3）取代为卤的6-成员杂环；B）如果B为氢，则A和C分别选自硝基、羧基烷基和羧基卤代烷基所组成的群；C）如果B为硝基，则A和C分别选自氢、羧基烷基和羧基卤代烷基所组成的群。这些化合物可用作杀虫剂和杀螨剂。

  公开号：

  US20040157892A1
• 作为产物：
  描述：

  1-氟-2-碘乙烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以79%的产率得到1-(2-fluoroethyl)-4-iodo-1H-pyrazole
  参考文献：
  名称：

  Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation

  摘要：

  本发明提供了一种式I的2-氨基-5-杂环基-5-苯基咪唑酮化合物。本发明还提供了利用该化合物抑制β-分泌酶（BACE）并治疗β-淀粉样沉积和神经原纤维缠结的方法。

  公开号：

  US20070004786A1

文献信息

• AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION
  申请人：Malamas Michael Sotirios

  公开号：US20080306091A1

  公开（公告）日：2008-12-11

  The present invention provides a 2-amino-5-heteroaryl-5-phenylimidazolone compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles

  本发明提供了一种式为I的2-氨基-5-杂环基-5-苯基咪唑酮化合物。本发明还提供了使用该化合物的方法，以抑制β-分泌酶（BACE）并治疗β-淀粉样沉积和神经原纤维缠结。
• Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation
  申请人：Wyeth

  公开号：US07417047B2

  公开（公告）日：2008-08-26

  The present invention provides a 2-amino-5-heteroaryl-5-phenylimidazolone compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles.

  本发明提供一种公式为I的2-氨基-5-杂环基-5-苯基咪唑酮化合物。本发明还提供了使用该化合物的方法，以抑制β-分泌酶（BACE）并治疗β-淀粉样沉积和神经原纤维缠结。
• Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation
  申请人：Malamas Michael Sotirios

  公开号：US20100168106A1

  公开（公告）日：2010-07-01

  The present invention provides a 2-amino-5-heteroaryl-5-phenylimidazolone compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles

  本发明提供了一种式为I的2-氨基-5-杂环基-5-苯基咪唑酮化合物。本发明还提供了使用该化合物的方法，以抑制β-分泌酶（BACE）并治疗β-淀粉样沉积和神经原纤维缠结。
• Carbon–carbon-linked (pyrazolylphenyl)oxazolidinones with antibacterial activity against multiple drug resistant gram-positive and fastidious gram-negative bacteria
  作者：Chi Sing Lee、Debra A Allwine、Michael R Barbachyn、Kevin C Grega、Lester A Dolak、Charles W Ford、Randy M Jensen、Eric P Seest、Judith C Hamel、Ronda D Schaadt、Douglas Stapert、Betty H Yagi、Gary E Zurenko、Michael J Genin

  DOI：10.1016/s0968-0896(01)00233-4

  日期：2001.12

  In an effort to expand the spectrum of activity of the oxazolidinone class of antibacterial agents to include Gram-negative bacteria, a series of new carbon-carbon linked pyrazolylphenyl analogues has been prepared. The alpha -N-substituted methyl pyrazole (10 alpha) in the C3-linked series exhibited very good Gram-positive activity with MICs less than or equal to 0.5-1 mug/mL and moderate Gramnegative activity with MICs = 2-8 mug/mL against Haemophilus influence and Moraxella catarrhalis. This analogue was also found to have potent in vivo activity with an ED50 = 1.9 mg/kg. beta -Substitution at the C3-linked pyrazole generally results in a loss of activity. The C4-linked pyrazoles are slightly more potent than their counterparts in the C3-linked series. Most of the analogues in the C4-linked series exhibited similar levels of activity in vitro, but lower levels of activity in vivo than 10 alpha. In addition, incorporation of a thioamide moiety in selected C4-linked pyrazole analogues results in an enhancement of in vitro activity leading to compounds several times more potent than eperezolid. linezolid and vancomycin. The thioamide of the N-cyanomethyl pyrazole analogue (34) exhibited an exceptional in vitro activity with MICs of less than or equal to 0.06-0.25 kg/mL against Gram-positive pathogens and with MICs of 1 mug/mL against fastidious Gram-negative pathogens. (C) 2001 Elsevier Science Ltd. All rights reserved.