2-(3-benzothienyl)cyclohexanone | 143357-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-(3-benzothienyl)cyclohexanone
• 英文别名: 2-(1-Benzothiophen-3-yl)cyclohexan-1-one
• CAS: 143357-90-8
• 化学式: C₁₄H₁₄OS
• 分子量: 230.331
• InChiKey: KZEANYZRYHUZBA-UHFFFAOYSA-N

物化性质

• 沸点：
  397.7±35.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-碘苯并[b]噻吩 、 cyclohexanone potassium enolate 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以22%的产率得到苯并噻吩
  参考文献：
  名称：

  Study of the Reaction of Several Ketone Enolates with 3-Iodobenzo[b]thiophene under Thermally Initiated SRN1 Reaction Conditions

  摘要：

  The reaction of 3-iodobenzo[b]thiophene (1) with the potassium enolates of cyclohexanone (2a), acetone (2b), and acetophenone (2c) in DMSO for 1 h at room temperature in the dark, gave the desired alpha-hetaryl ketones (3a-c) in low yield. The thermally activated S(RN)1 reaction with the ion enolate (2a) was studied in mere detail and it was found that the radical chain S(RN)1 mechanism could compete with one of ionic character.

  DOI：

  10.3987/com-92-5994

文献信息

• Study of the Reaction of Several Ketone Enolates with 3-Iodobenzo[b]thiophene under Thermally Initiated SRN1 Reaction Conditions
  作者：Montserrat Prats、Carmen G�vez、Llu痴 Beltran

  DOI：10.3987/com-92-5994

  日期：——

  The reaction of 3-iodobenzo[b]thiophene (1) with the potassium enolates of cyclohexanone (2a), acetone (2b), and acetophenone (2c) in DMSO for 1 h at room temperature in the dark, gave the desired alpha-hetaryl ketones (3a-c) in low yield. The thermally activated S(RN)1 reaction with the ion enolate (2a) was studied in mere detail and it was found that the radical chain S(RN)1 mechanism could compete with one of ionic character.