2- benzofuran | 154544-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2- benzofuran
• 英文别名: 2-[Chloro-(4-fluorophenyl)methyl]-1-benzofuran
• CAS: 154544-60-2
• 化学式: C₁₅H₁₀ClFO
• 分子量: 260.695
• InChiKey: XMQFXPWJKMDPIE-UHFFFAOYSA-N

物化性质

• 沸点：
  354.2±32.0 °C(predicted)
• 密度：
  1.289±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2- benzofuran 、 亚磷酸三乙酯 反应 6.0h， 以66%的产率得到diethyl <(2-benzofuranyl) (4-fluorophenyl) methyl> phosphonate
  参考文献：
  名称：

  Synthesis and pharmacological study of new calcium antagonists, analogues of cinnarizine and flunarizine

  摘要：

  Several phosphonic diethyl esters were synthesized and their calcium antagonistic activity evaluated in vitro. The diethyl phosphonate group was condensed on substituted [diphenylmethyl], [(2-benzofuranyl)phenylmethyl], [(4-(diphenylmethyl-1 piperazinyl) methyl], [4-(4-diphenylmethyl-1-piperazinyl methyl) phenylmethyl], and [4-(3-phenyl-2-propenyl)-1-piperazinyl methyl] groups. Despite the presence of the diethyl phosphonate moiety and the benzhydrylpiperazinyl group, both present in potent calcium antagonist structures, only 1 of the 19 synthesized compounds exhibited a calcium antagonistic profile.

  DOI：

  10.1016/0223-5234(93)90049-k
• 作为产物：
  描述：

  苯并呋喃-2-羧酸 在 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 甲醇 、 环己烷 为溶剂， 反应 24.0h， 生成 2- benzofuran
  参考文献：
  名称：

  Synthesis and pharmacological study of new calcium antagonists, analogues of cinnarizine and flunarizine

  摘要：

  Several phosphonic diethyl esters were synthesized and their calcium antagonistic activity evaluated in vitro. The diethyl phosphonate group was condensed on substituted [diphenylmethyl], [(2-benzofuranyl)phenylmethyl], [(4-(diphenylmethyl-1 piperazinyl) methyl], [4-(4-diphenylmethyl-1-piperazinyl methyl) phenylmethyl], and [4-(3-phenyl-2-propenyl)-1-piperazinyl methyl] groups. Despite the presence of the diethyl phosphonate moiety and the benzhydrylpiperazinyl group, both present in potent calcium antagonist structures, only 1 of the 19 synthesized compounds exhibited a calcium antagonistic profile.

  DOI：

  10.1016/0223-5234(93)90049-k

文献信息

• (Benzofuran-2-yl)imidazoles having pharmaceutical activity, their salts and relevant production processes
  申请人：A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L.

  公开号：EP0257171B1

  公开（公告）日：1990-08-29
• US4800208A
  申请人：——

  公开号：US4800208A

  公开（公告）日：1989-01-24
• [EN] HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS<br/>[FR] COMPOSES DE FURANE HETEROCYCLIQUES, PREPARATION DE CES COMPOSES ET UTILISATION DE CES COMPOSES COMME INHIBITEURS D'AROMATASE
  申请人：——

  公开号：WO1998018791A1

  公开（公告）日：1998-05-07

  [EN] Described herein are furan compounds having formula (I), their preparation and their use as aromatase inhibitors.
  [FR] Composés de furane représentés par la formule (I), leur préparation et leur utilisation en tant qu'inhibiteurs d'aromatase.