4-allyl-6,7-dichloro-5-hydroxy-2-methyl-2-phenyl-1-indanone | 61000-47-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4-allyl-6,7-dichloro-5-hydroxy-2-methyl-2-phenyl-1-indanone
• 英文别名: 2-Methyl-2-phenyl-4-allyl-5-hydroxy-6,7-dichlor-1-indanon；2-methyl-2-phenyl-4-allyl-5-hydroxy-6,7-dichloro-1-indanone；6,7-dichloro-5-hydroxy-2-methyl-2-phenyl-4-prop-2-enyl-3H-inden-1-one
• CAS: 61000-47-3
• 化学式: C₁₉H₁₆Cl₂O₂
• 分子量: 347.241
• InChiKey: YYOZMOOXDSCQBB-UHFFFAOYSA-N

物化性质

• 熔点：
  125 °C
• 沸点：
  488.6±45.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-allyl-6,7-dichloro-5-hydroxy-2-methyl-2-phenyl-1-indanone 在 过氧乙酸 、 sodium acetate 作用下， 以 二氯甲烷 为溶剂， 反应 120.0h， 生成 6,7-Dichloro-5-hydroxy-2-methyl-4-oxiranylmethyl-2-phenyl-indan-1-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
• 作为产物：
  描述：

  5-(allyloxy)-6,7-dichloro-2-methyl-2-phenyl-1-indanone 以 N,N-二乙基苯胺 为溶剂， 生成 4-allyl-6,7-dichloro-5-hydroxy-2-methyl-2-phenyl-1-indanone
  参考文献：
  名称：

  6-Oxo-7-substituted and 7,7-disubstituted-6H-indeno-[5,4-b]furan (and

  摘要：

  本文披露了6-Oxo-7,7-二取代-1,2,7,8-四氢(和7,8-二氢)-6H-吲哚[5,4-b]呋喃(和噻吩)羧酸，其盐，酯和酰胺衍生物以及这些化合物与抗钾利尿剂的组合物，具有利尿-排盐，尿酸排泄和降压活性。

  公开号：

  US03984552A1

文献信息

• 6-Oxo-7-substituted and 7,7-disubstituted-6H-indeno-[5,4-b]furan (and
  申请人：Merck & Co., Inc.

  公开号：US03984552A1

  公开（公告）日：1976-10-05

  6-Oxo-7,7-disubstituted-1,2,7,8-tetrahydro (and 7,8-dihydro)-6H-indeno-[5,4-b]furan (and thiophene)carboxylic acids, the salt, ester and amide derivatives thereof and combinations of these compounds with antikaluretic agents are disclosed having diuretic-saluretic, uricosuric and antihypertensive activity.

  本文披露了6-Oxo-7,7-二取代-1,2,7,8-四氢(和7,8-二氢)-6H-吲哚[5,4-b]呋喃(和噻吩)羧酸，其盐，酯和酰胺衍生物以及这些化合物与抗钾利尿剂的组合物，具有利尿-排盐，尿酸排泄和降压活性。
• WOLTERSDORF, O. W. ,, JR;DESOLMS, S. J.;GRAGOE, E. J. ,, JR, J. MED. CHEM., 1981, 24, N 7, 874-878
  作者：WOLTERSDORF, O. W. ,, JR、DESOLMS, S. J.、GRAGOE, E. J. ,, JR

  DOI：——

  日期：——
• US3984552A
  申请人：——

  公开号：US3984552A

  公开（公告）日：1976-10-05
• (Acylaryloxy)acetic acid diuretics. 4. Indeno[5,4-b]furan-2-carboxylic acids
  作者：Otto W. Woltersdorf、S. Jane deSolms、Edward J. Cragoe

  DOI：10.1021/jm00139a020

  日期：1981.7

  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.