3-Ethyl-2-iodocyclopent-2-en-1-one | 1611491-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Ethyl-2-iodocyclopent-2-en-1-one
• CAS: 1611491-01-0
• 化学式: C₇H₉IO
• 分子量: 236.052
• InChiKey: GYMMKKKEYKBYKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Ethyl-2-iodocyclopent-2-en-1-one 在 吡啶 、 四(三苯基膦)钯 、 盐酸羟胺 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 3-ethyl-2-(3,4-difluorophenyl)-2-cyclopenten-1-one oxime
  参考文献：
  名称：

  Synthesis and structure–activity relationship of cyclopentenone oximes as novel inhibitors of the production of tumor necrosis factor-α

  摘要：

  3-Alkyl-2-aryl-2-cyclopenten-1-one oxime derivatives (1) were studied as a novel class of inhibitors of tumor necrosis factor alpha (TNF-alpha) with regard to synthesis and in vitro SAR inhibition of TNF-alpha. The in vitro IC50 values of these compounds in rat and human peripheral blood mononuclear cells were at the sub-micromolar level. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.115
• 作为产物：
  描述：

  3-乙基环戊-2-烯-1-酮 在 吡啶 、 碘 作用下， 以 四氯化碳 为溶剂， 生成 3-Ethyl-2-iodocyclopent-2-en-1-one
  参考文献：
  名称：

  Synthesis and structure–activity relationship of cyclopentenone oximes as novel inhibitors of the production of tumor necrosis factor-α

  摘要：

  3-Alkyl-2-aryl-2-cyclopenten-1-one oxime derivatives (1) were studied as a novel class of inhibitors of tumor necrosis factor alpha (TNF-alpha) with regard to synthesis and in vitro SAR inhibition of TNF-alpha. The in vitro IC50 values of these compounds in rat and human peripheral blood mononuclear cells were at the sub-micromolar level. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.115

文献信息

• [EN] METHOD OF PREPARING FULVENE COMPOUNDS AND METHOD OF PREPARING ANSA-METALLOCENE COMPOUNDS USING THE COMPOUNDS<br/>[FR] PROCEDE DE PREPARATION DE COMPOSES FULVENE ET PROCEDE DE PREPARATION DE COMPOSES ANSA-METALLOCENE AU MOYEN DE CES COMPOSES
  申请人：LG CHEMICAL LTD

  公开号：WO2005035470A1

  公开（公告）日：2005-04-21

  There are provided a method of simply preparing a 1,4,6-substituted, 1,4-substituted, 1,6-substituted, or 1-substituted fulvene compound, the intermediates of the fulvene compound, and a method of preparing an ansa-metallocene compound in which two cyclopentadienyl ligands are bridged by one carbon and there are substituents only at positions adjacent to the bridging point of a cyclopentadienyl ligand, using the fulvene compound.

  提供了一种简单制备1,4,6-取代，1,4-取代，1,6-取代或1-取代富烯化合物的方法，该方法还提供了富烯化合物的中间体以及使用富烯化合物制备两个环戊二烯基配体由一个碳桥接并且仅在环戊二烯基配体的桥接点相邻位置有取代基的安萨-金属茂化合物的方法。
• Method of preparing fulvene compounds and method of preparing ansa-metallocene compounds using the compounds
  申请人：Park Whan Young

  公开号：US20050080296A1

  公开（公告）日：2005-04-14

  There are provided a method of simply preparing a 1,4,6-substituted, 1,4-substituted, 1,6-substituted, or 1-substituted fulvene compound, the intermediates of the fulvene compound, and a method of preparing an ansa-metallocene compound in which two cyclopentadienyl ligands are bridged by one carbon and there are substituents only at positions adjacent to the bridging point of a cyclopentadienyl ligand, using the fulvene compound.

  提供了一种简单制备1,4,6-取代，1,4-取代，1,6-取代或1-取代富烯化合物的方法，富烯化合物的中间体以及使用富烯化合物制备两个环戊二烯基配体由一个碳桥接且仅在环戊二烯基配体的桥接点相邻位置有取代基的ansa-金属茂化合物的方法。
• METHOD OF PREPARING FULVENE COMPOUNDS AND METHOD OF PREPARING ANSA-METALLOCENE COMPOUNDS USING THE COMPOUNDS
  申请人：LG Chem, Ltd.

  公开号：EP1673321A1

  公开（公告）日：2006-06-28
• US7166731B2
  申请人：——

  公开号：US7166731B2

  公开（公告）日：2007-01-23