5-溴-2-羟基戊酸甲酯 | 61427-27-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 5-溴-2-羟基戊酸甲酯
• 英文名称: methyl 2-hydroxy-5-bromo-pentanoate
• 英文别名: methyl 5-bromo-2-hydroxypentanoate；methyl 2-hydroxy-5-bromopentanoate；methyl 2-hydroxy5-bromopentanoate
• CAS: 61427-27-8
• 化学式: C₆H₁₁BrO₃
• 分子量: 211.056
• InChiKey: XRUBEGXHALZNCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  5-溴-2-羟基戊酸甲酯 生成 methyl 5-bromo-2-oxopentanoate
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰氧基-5-溴戊酸甲酯 以 甲醇 、 乙酸乙酯 、 甲苯 为溶剂， 生成 5-溴-2-羟基戊酸甲酯
  参考文献：
  名称：

  7-oxabicycloheptane substituted keto-amide prostaglandin analogs useful

  摘要：

  提供了具有结构式##STR1##的7-氧代双环庚烷取代酮酰胺前列腺素类似物，其中m为0至4；A为--CH.dbd.CH--或--CH.sub.2 --CH.sub.2 --；n为1至5；Q为--CH.dbd.CH--，--CH.sub.2 --，##STR2##或单键；R为CO.sub.2 H，CO.sub.2烷基，CO.sub.2碱金属，CO.sub.2多羟胺盐，##STR3##其中R.sup.4和R.sup.5相同或不同，为H，低烷基，羟基，低烷氧基或芳基，R.sup.4和R.sup.5中至少有一个不是羟基和低烷氧基；p为1至4；R.sup.1为H或低烷基；R.sup.2为H，低烷基，低烯基，芳基，芳基烷基，环烷基或环烷基烷基。这些化合物是心血管药物，例如，在治疗血栓性疾病方面有用。

  公开号：

  US04639461A1

文献信息

• 7-oxabicycloheptane substituted amide-sulfonamide prostaglandin analogs
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04632931A1

  公开（公告）日：1986-12-30

  7-Oxabicycloheptane substituted amide-sulfonamide prostaglandin analogs are provided having the structural formula ##STR1## wherein m is 0 to 4; A is --CH.dbd.CH-- or --CH.sub.2 --CH.sub.2 --; n is 1 to 5; Q is --CH.dbd.CH--, --CH.sub.2 --, ##STR2## or a single bond; R is CO.sub.2 H, CO.sub.2 alkyl, CO.sub.2 alkali metal, CO.sub.2 polyhydroxyamine salt, --CH.sub.2 OH, ##STR3## wherein R.sup.4 and R.sup.5 are the same or different and are H, lower alkyl, hydroxy, lower alkoxy or aryl, at least one of R.sup.4 and R.sup.5 being other than hydroxy and lower alkoxy; p is 1 to 4; R.sup.1 is H or lower alkyl; q is 1 to 12; R.sup.2 is H or lower alkyl; and R.sup.3 is lower alkyl, aryl, arylalkyl, cycloalkyl or cycloalkylalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  提供了具有结构式##STR1##的7-氧代双环庚烷取代酰胺-磺胺基前列腺素类似物，其中m为0至4；A为--CH.dbd.CH--或--CH.sub.2 --CH.sub.2 --；n为1至5；Q为--CH.dbd.CH--，--CH.sub.2 --，##STR2##或单键；R为CO.sub.2 H，CO.sub.2烷基，CO.sub.2碱金属，CO.sub.2多羟胺盐，--CH.sub.2 OH，##STR3##其中R.sup.4和R.sup.5相同或不同，为H，低烷基，羟基，低烷氧基或芳基，R.sup.4和R.sup.5中至少有一个不是羟基和低烷氧基；p为1至4；R.sup.1为H或低烷基；q为1至12；R.sup.2为H或低烷基；R.sup.3为低烷基，芳基，芳基烷基，环烷基或环烷基烷基。这些化合物是心血管药物，例如，在治疗血栓性疾病中有用。
• 7-oxabicycloheptane substituted amide-carbamate prostaglandin analogs
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04652576A1

  公开（公告）日：1987-03-24

  7-Oxabicycloheptane substituted amide-carbamide prostaglandin analogs are provided having the structural formula ##STR1## wherein m is 0 to 4; A is --CH.dbd.CH-- or --CH.sub.2 --CH.sub.2 --; n is 1 to 5; Q is --CH.dbd.CH--, --CH.sub.2 --, ##STR2## or a single bond; R is CO.sub.2 H, CO.sub.2 alkyl, CO.sub.2 alkali metal, CO.sub.2 polyhydroxyamine salt, --CH.sub.2 OH, ##STR3## wherein R.sup.3 and R.sup.4 are the same or different and are H, lower alkyl, hydroxy, lower alkoxy or aryl, at least one of R.sup.3 and R.sup.4 being other than hydroxy and lower alkoxy; p is 1 to 5; R.sup.1 is H or lower alkyl; q is 1 to 12; and R.sup.2 is H, lower alkyl, lower alkenyl, lower alkynyl, aryl, or arylalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  7-氧代双环庚烷取代酰胺-尿素前列腺素类似物具有结构式##STR1##其中m为0至4；A为--CH.dbd.CH--或--CH.sub.2 --CH.sub.2 --；n为1至5；Q为--CH.dbd.CH--，--CH.sub.2 --，##STR2##或单键；R为CO.sub.2 H，CO.sub.2烷基，CO.sub.2碱金属，CO.sub.2多羟胺盐，--CH.sub.2 OH，##STR3##其中R.sup.3和R.sup.4相同或不同，为H，低烷基，羟基，低烷氧基或芳基，R.sup.3和R.sup.4中至少有一个不是羟基和低烷氧基；p为1至5；R.sup.1为H或低烷基；q为1至12；R.sup.2为H，低烷基，低烯基，低炔基，芳基或芳基烷基。这些化合物是心血管药物，例如，在治疗血栓性疾病中有用。
• 7-oxabicycloheptane .alpha.-substituted ketone prostaglandin analogs
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04638012A1

  公开（公告）日：1987-01-20

  7-Oxabicycloheptane .alpha.-substituted ketone prostaglandin analogs are provided having the structural formula ##STR1## wherein m is 0 to 4; A is --CH.dbd.CH-- or --CH.sub.2 --CH.sub.2 --; n is 1 to 5; X is halogen, alkanoyloxy or hydroxy; p is 1 to 4; R.sup.1 is H or lower alkyl; q is 1 to 12; R.sup.2 is H or lower alkyl; and R.sup.3 is H, lower alkyl, lower alkenyl, lower alkynyl, aryl, arylalkyl, lower alkoxy, aryloxy, amino, alkylamino, or arylamino. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  提供了具有结构式的7-氧杂双环庚烷α-取代酮前列腺素类似物##STR1##其中m为0至4；A为--CH.dbd.CH--或--CH.sub.2--CH.sub.2--；n为1至5；X为卤素、烷酰氧基或羟基；p为1至4；R.sup.1为H或较低烷基；q为1至12；R.sup.2为H或较低烷基；R.sup.3为H、较低烷基、较低烯基、较低炔基、芳基、芳基烷基、较低烷氧基、芳氧基、氨基、烷基氨基或芳基氨基。这些化合物是心血管药物，例如，在治疗血栓性疾病方面很有用。
• 7-oxabicycloheptane substituted sulfonamide prostaglandin analogs
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04654357A1

  公开（公告）日：1987-03-31

  7-Oxabicycloheptane substituted sulfonamide prostaglandin analogs are provided having the structural formula ##STR1## wherein m is 0 to 4; A is --CH.dbd.CH-- or --CH.sub.2 --CH.sub.2 --; n is 1 to 5; Q is --CH.dbd.CH--, --CH.sub.2 --, ##STR2## or a single bond; R is CO.sub.2 H, CO.sub.2 alkyl, CO.sub.2 alkali metal, CO.sub.2 polyhydroxyamine salt, --CH.sub.2 OH, ##STR3## wherein R.sup.3 and R.sup.4 are the same or different and are H, lower alkyl or aryl; p is 1 to 4; R.sup.1 is H or lower alkyl; and R.sup.2 is H, lower alkyl, lower alkenyl, lower alkynyl, aryl, arylalkyl, cycloalkyl or cycloalkylalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  提供了7-Oxabicycloheptane取代磺酰胺前列腺素类似物，其结构式为##STR1##其中m为0至4；A为--CH.dbd.CH--或--CH.sub.2--CH.sub.2--；n为1至5；Q为--CH.dbd.CH--，--CH.sub.2--，##STR2##或单键；R为CO.sub.2H，CO.sub.2烷基，CO.sub.2碱金属，CO.sub.2多羟基胺盐，--CH.sub.2OH，##STR3##其中R.sup.3和R.sup.4相同或不同，为H，低碳基或芳基；p为1至4；R.sup.1为H或低碳基；R.sup.2为H，低碳基，低烯基，低炔基，芳基，芳基烷基，环烷基或环烷基烷基。这些化合物是心血管制剂，例如在治疗血栓性疾病方面有用。
• 7-oxabicycloheptane substituted diamide and its congener prostaglandin
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04663336A1

  公开（公告）日：1987-05-05

  7-Oxabicycloheptane substituted amide prostaglandin analogs are provided having the structural formula ##STR1## wherein m is 0 to 4; A is --CH.dbd.CH-- or --CH.sub.2 --CH.sub.2 --; n is 1 to 5; Q is --CH.dbd.CH--, --CH.sub.2 --, ##STR2## or a single bond; R is CO.sub.2 H, CO.sub.2 alkyl, CO.sub.2 alkali metal, CO.sub.2 polyhydroxyamine salt, --CH.sub.2 OH, ##STR3## wherein R.sup.4 and R.sup.5 are the same or different and are H, lower alkyl, hydroxy, lower alkoxy or aryl, at least one of R.sup.4 and R.sup.5 being other than hydroxy and lower alkoxy; p is 1 to 4; R.sup.1 is H or lower alkyl; q is 1 to 12; R.sup.2 is H or lower alkyl; and R.sup.3 is H, lower alkyl, lower alkenyl, lower alkynyl, aryl, arylalkyl, lower alkoxy, aryloxy, arylalkyloxy, amino, alkylamino arylamino, arylalkylamino, ##STR4## (wherein n' is 0, 1 or 2), alkylaminoalkyl, arylaminoalkyl, arylalkylaminoalkyl, alkoxyalkyl, aryloxyalkyl or arylalkoxyalkyl. The compounds are cardiovascular agents useful, for example, in the treatment of thrombotic disease.

  提供了结构式为##STR1##的7-Oxabicycloheptane取代酰胺前列腺素类似物，其中m为0至4; A为--CH.dbd.CH--或--CH.sub.2--CH.sub.2--; n为1至5; Q为--CH.dbd.CH--, --CH.sub.2--, ##STR2##或单键; R为CO.sub.2H，CO.sub.2烷基，CO.sub.2碱金属，CO.sub.2多羟基胺盐，--CH.sub.2OH，##STR3##其中R.sup.4和R.sup.5相同或不同，为H，低级烷基，羟基，低级烷氧基或芳基，R.sup.4和R.sup.5中至少有一个不是羟基和低级烷氧基; p为1至4; R.sup.1为H或低级烷基; q为1至12; R.sup.2为H或低级烷基; R.sup.3为H，低级烷基，低级烯基，低级炔基，芳基，芳基烷基，低级烷氧基，芳氧基，芳基烷氧基，氨基，烷基氨基，芳基氨基，芳基烷基氨基，##STR4##（其中n'为0、1或2），烷基氨基烷基，芳基氨基烷基，芳基烷基氨基烷基，烷氧基烷基，芳氧基烷基或芳基烷氧基烷基。这些化合物是心血管药物，例如在治疗血栓性疾病方面有用。