4,5-dichloro-2-(hydroxymethyl)spiro[2,8-dihydro-1H-cyclopenta[e][1]benzofuran-7,1'-cyclopentane]-6-one | 57662-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4,5-dichloro-2-(hydroxymethyl)spiro[2,8-dihydro-1H-cyclopenta[e][1]benzofuran-7,1'-cyclopentane]-6-one
• CAS: 57662-01-8
• 化学式: C₁₆H₁₆Cl₂O₃
• 分子量: 327.207
• InChiKey: YRLZLTKUBFEALP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4,5-dichloro-2-(hydroxymethyl)spiro[2,8-dihydro-1H-cyclopenta[e][1]benzofuran-7,1'-cyclopentane]-6-one 以20%的产率得到
  参考文献：
  名称：

  WOLTERSDORF, O. W. ,, JR;DESOLMS, S. J.;GRAGOE, E. J. ,, JR, J. MED. CHEM., 1981, 24, N 7, 874-878

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二(氯甲基)-1,4-二氢萘-1,4-二酮 反应 0.25h， 生成 4,5-dichloro-2-(hydroxymethyl)spiro[2,8-dihydro-1H-cyclopenta[e][1]benzofuran-7,1'-cyclopentane]-6-one
  参考文献：
  名称：

  (Acylaryloxy)acetic acid diuretics. 4. Indeno[5,4-b]furan-2-carboxylic acids

  摘要：

  Investigation of the chemistry of the potent new uricosuric diuretic indacrinone (MK-196) led to a class of novel annulated derivatives, indeno[5,4-b]furan-2-carboxylic acids. The structural requirements for optimal diuretic and uricosuric activity of the tricyclic analogues differed from those of their (indanyloxy)acetic acids counterparts. Most notably, the tricyclic analogues were two to four times more natriuretic than the corresponding (indanyloxy)acetic acids when administered orally to rats, and in chimpanzees, uricosuria was observed only in those indenofurans having a nuclear aryl substituent.

  DOI：

  10.1021/jm00139a020