4-(2'-Methoxyphenyl)-3-phenylbutyric acid | 54308-35-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(2'-Methoxyphenyl)-3-phenylbutyric acid
• 英文别名: 4-(2-Methoxyphenyl)-3-phenylbuttersaeure；4-(2-methoxyphenyl)-3-phenylbutanoic acid
• CAS: 54308-35-9
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: PYGGEEFFYHWFDD-UHFFFAOYSA-N

物化性质

• 熔点：
  98-99 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  387.2±27.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2'-Methoxyphenyl)-3-phenylbutyric acid 生成 5-methoxy-3-phenyl-1,2,3,4-tetrahydro-1-naphthalenone
  参考文献：
  名称：

  Dopaminergic compounds

  摘要：

  化合物的化学式（I）的新颖化合物：##STR1##或其药学上可接受的盐、酯和酰胺，其中A为O、C、CH或CH.sub.2，n为0或1，虚线是当A为O或CH.sub.2时为单键，当A为CH或n=0时为双键，当A为C且R.sub.6和A一起形成含氮杂环时，R为氢、低碳烷基或易解离基团；R.sub.1选择自氢、卤素、低碳烷基、卤代烷基和低烷氧基；R.sub.2选择自氢、卤素、低碳烷基和卤代烷基或与R.sub.8一起形成融合环；R.sub.3为氢、烷基、烯基、炔基、环烷基、芳基或芳基烷基或与R.sub.4一起形成螺环烷基或与R.sub.5一起形成融合环烷基；R.sub.4为氢或烷基或与R.sub.3一起形成螺环烷基；R.sub.5为氢或烷基或与R.sub.3一起形成融合环烷基；R.sub.6为氢、烷基、烯基、炔基、环烷基或芳基烷基或与A一起形成融合含氮杂环或与R.sub.7或R.sub.8一起形成含氮杂环；R.sub.7为氢或烷基或与R.sub.6或R.sub.8一起形成含氮杂环；R.sub.8为氢或烷基或与R.sub.6或R.sub.7一起形成含氮杂环或与R.sub.2一起形成融合环，但R.sub.3和R.sub.4不能同时都是氢，是选择性多巴胺能作用剂，用于治疗中枢或外周神经系统中存在异常多巴胺能活性的疾病，例如，神经症、帕金森病、某些心血管疾病和成瘾行为障碍。

  公开号：

  US04994486A1
• 作为产物：
  描述：

  4-氯-2-氯甲基-1-甲氧基苯 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 三乙胺 作用下， 生成 4-(2'-Methoxyphenyl)-3-phenylbutyric acid
  参考文献：
  名称：

  Synthesis of phenyl-substituted 1-aminotetralines

  摘要：

  DOI：

  10.1021/jo00897a008

文献信息

• Dopaminergic compounds
  申请人：Abbott Laboratories

  公开号：US04994486A1

  公开（公告）日：1991-02-19

  Novel compounds of Formula (I): ##STR1## or pharmaceutically acceptable salts, esters and amides thereof, wherein A is O, C, CH or CH.sub.2, n is 0 or 1, and the dotted line is a single bond when A is O or CH.sub.2 and a double bond when A is CH or when n=0, A is C and R.sub.6 and A taken together form a nitrogen-containing heterocycle; R is hydrogen, lower alkyl or a readily cleavable group; R.sub.1 is selected from hydrogen, halogen, lower alkyl, haloalkyl and lower alkoxy; R.sub.2 is selected from hydrogen, halogen, lower alkyl and haloalkyl or, taken together with R.sub.8, forms a fused ring; R.sub.3 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl or arylalkyl or, taken together with R.sub.4, forms a spirocycloalkyl or, taken together with R.sub.5, forms a fused cycloalkyl; R.sub.4 is hydrogen or alkyl or, taken together with R.sub.3, forms a spirocycloalkyl; R.sub.5 is hydrogen or alkyl or, taken together with R.sub.3, forms a fused cycloalkyl; R.sub.6 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl or arylalkyl or, taken together with A when A is C and when n is 0, forms a fused nitrogen-containing heterocycle or, taken together with R.sub.7 or R.sub.8, forms a nitrogen-containing heterocycle; R.sub.7 is hydrogen or alkyl or, taken together with R.sub.6 or R.sub.8, forms a nitrogen-containing heterocycle; R.sub.8 is hydrogen or alkyl or, taken together with R.sub.6 or R.sub.7, forms a nitrogen-containing heterocycle or, taken together with R.sub.2, forms a fused ring, with the proviso that R.sub.3 and R.sub.4 cannot simultaneously both be hydrogen, are selective dopaminergic agents and are useful for treating disorders characterized by abnormal dopaminergic activity in the central or the peripheral nervous system, for example, neurological disorders such as psychoses, Parkinson's Disease, certain cardiovascular disorders and addictive behavior disorders.

  化合物的化学式（I）的新颖化合物：##STR1##或其药学上可接受的盐、酯和酰胺，其中A为O、C、CH或CH.sub.2，n为0或1，虚线是当A为O或CH.sub.2时为单键，当A为CH或n=0时为双键，当A为C且R.sub.6和A一起形成含氮杂环时，R为氢、低碳烷基或易解离基团；R.sub.1选择自氢、卤素、低碳烷基、卤代烷基和低烷氧基；R.sub.2选择自氢、卤素、低碳烷基和卤代烷基或与R.sub.8一起形成融合环；R.sub.3为氢、烷基、烯基、炔基、环烷基、芳基或芳基烷基或与R.sub.4一起形成螺环烷基或与R.sub.5一起形成融合环烷基；R.sub.4为氢或烷基或与R.sub.3一起形成螺环烷基；R.sub.5为氢或烷基或与R.sub.3一起形成融合环烷基；R.sub.6为氢、烷基、烯基、炔基、环烷基或芳基烷基或与A一起形成融合含氮杂环或与R.sub.7或R.sub.8一起形成含氮杂环；R.sub.7为氢或烷基或与R.sub.6或R.sub.8一起形成含氮杂环；R.sub.8为氢或烷基或与R.sub.6或R.sub.7一起形成含氮杂环或与R.sub.2一起形成融合环，但R.sub.3和R.sub.4不能同时都是氢，是选择性多巴胺能作用剂，用于治疗中枢或外周神经系统中存在异常多巴胺能活性的疾病，例如，神经症、帕金森病、某些心血管疾病和成瘾行为障碍。
• US4994486A
  申请人：——

  公开号：US4994486A

  公开（公告）日：1991-02-19
• Synthesis of phenyl-substituted 1-aminotetralines
  作者：Reinhard Sarges

  DOI：10.1021/jo00897a008

  日期：1975.5
• SARGES R., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 9, 1216-1224
  作者：SARGES R.

  DOI：——

  日期：——