4-(4-carbamoyl-phenyl)-butyric acid ethyl ester | 1138239-39-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-carbamoyl-phenyl)-butyric acid ethyl ester
• 英文别名: Ethyl 4-(4-carbamoylphenyl)butanoate
• CAS: 1138239-39-0
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: ISYZFDUVOPAMPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-ethoxy-4-oxobutylzinc bromide lithium chloride 、 对溴苯甲胺 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到4-(4-carbamoyl-phenyl)-butyric acid ethyl ester
  参考文献：
  名称：

  Negishi交叉联轴器与不受保护的酰胺功能兼容

  摘要：

  温和的态度：在S‐PHOS存在下，未保护的包含芳基溴化物和碘化物的酰胺和磺酰胺会与各种锌有机金属试剂进行平滑的Negishi交叉偶联，从而可制备药学上相关的分子（参见方案; S‐PHOS = 2‐二环己基膦基2'，6'-二甲氧基联苯）。

  DOI：

  10.1002/chem.200802349

文献信息

• Pyrazole compounds and their use as antidiabetes agents
  申请人：Takagi Masaki

  公开号：US20070032529A1

  公开（公告）日：2007-02-08

  The present invention provides a pyrazole compound that has liver glycogen phosphorylase inhibitory activity and is useful as a therapeutic or prophylactic agent for diabetes, the pyrazole compound represented by the following general formula (I): wherein Ring Q represents an aryl or heteroaromatic group, R 1 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group or a C 1-6 alkoxy group, R 2 represents a halogen atom, a C 1-6 alkyl group, a C 1-6 alkoxy group or an azido group, R 3 represents a halogen atom, a hydroxyl group, a C 1-6 alkyl group, a halo C 1-6 alkyl group, a C 1-6 alkoxy group, an azido group, an amino group, an acylamino group or a C 1-6 alkylsulfonylamino group, R 4 and R 5 are identical with or different from each other and represent a hydrogen atom, a substituted or unsubstituted C 1-6 alkyl group, a C 3-8 cycloalkyl group, a substituted or unsubstituted saturated heterocyclic group, a substituted or unsubstituted aryl group, a C 7-14 aralkyl group, a heteroaromatic group, or the like, or a pharmacologically acceptable salt thereof.

  本发明提供了一种具有肝糖原磷酸化酶抑制活性的吡唑化合物，用作糖尿病的治疗或预防剂，所述吡唑化合物由以下通用式（I）表示：其中环Q代表芳基或杂芳基，R1代表氢原子、卤原子、C1-6烷基或C1-6烷氧基，R2代表卤原子、C1-6烷基、C1-6烷氧基或偶氮基，R3代表卤原子、羟基、C1-6烷基、卤代C1-6烷基、C1-6烷氧基、偶氮基、氨基、酰胺基或C1-6烷基磺酰胺基，R4和R5彼此相同或不同，代表氢原子、取代或未取代的C1-6烷基、取代或未取代的C3-8环烷基、取代或未取代的饱和杂环基、取代或未取代的芳基、C7-14芳基烷基、杂芳基等，或其药理学上可接受的盐。
• PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME
  申请人：Japan Tobacco, Inc.

  公开号：EP1884513A1

  公开（公告）日：2008-02-06

  The present invention provides a pyrazole compound that has liver glycogen phosphorylase inhibitory activity and is useful as a therapeutic or prophylactic agent for diabetes, the pyrazole compound represented by the following general formula (I): wherein Ring Q represents an aryl or heteroaromatic group, R1 represents a hydrogen atom, a halogen atom, a C1-6 alkyl group or a C1-6 alkoxy group, R2 represents a halogen atom, a C1-6 alkyl group, a C1-6 alkoxy group or an azido group, R3 represents a halogen atom, a hydroxyl group, a C1-6 alkyl group, a halo C1-6 alkyl group, a C1-6 alkoxy group, an azido group, an amino group, an acylamino group or a C1-6 alkylsulfonylamino group, R4 and R5 are identical with or different from each other and represent a hydrogen atom, a substituted or unsubstituted C1-6 alkyl group, a C3-8 cycloalkyl group, a substituted or unsubstituted saturated heterocyclic group, a substituted or unsubstituted aryl group, a C7-14 aralkyl group, a heteroaromatic group, or the like, or a pharmacologically acceptable salt thereof.

  本发明提供了一种具有肝糖原磷酸化酶抑制活性并可用作糖尿病治疗或预防剂的吡唑化合物，该吡唑化合物由以下通式(I)表示： 其中环 Q 代表芳基或杂芳基，R1 代表氢原子、卤素原子、C1-6 烷基或 C1-6 烷氧基，R2 代表卤素原子、C1-6 烷基、C1-6 烷氧基或叠氮基，R3 代表卤素原子、羟基、C1-6 烷基、卤代 C1-6 烷基、C1-6 烷氧基、叠氮基、氨基、酰氨基或酰胺基、R4 和 R5 彼此相同或不同，代表氢原子、取代或未取代的 C1-6 烷基、C3-8 环烷基、取代或未取代的饱和杂环基、取代或未取代的芳基、C7-14 芳基、杂芳基或类似基团，或其药理学上可接受的盐。
• Negishi Cross-Couplings Compatible with Unprotected Amide Functions
  作者：Georg Manolikakes、M.Sc. Zhibing Dong、Herbert Mayr、Jinshan Li、Paul Knochel

  DOI：10.1002/chem.200802349

  日期：2009.1.26

  Mild mannered: Unprotected amides and sulfonamides containing aryl bromides and iodides undergo, in the presence of S‐PHOS, smooth Negishi cross‐couplings with various zinc organometallic reagents, allowing the preparation of pharmaceutically relevant molecules (see scheme; S‐PHOS=2‐dicyclohexylphosphino‐2′,6′‐dimethoxybiphenyl).

  温和的态度：在S‐PHOS存在下，未保护的包含芳基溴化物和碘化物的酰胺和磺酰胺会与各种锌有机金属试剂进行平滑的Negishi交叉偶联，从而可制备药学上相关的分子（参见方案; S‐PHOS = 2‐二环己基膦基2'，6'-二甲氧基联苯）。