4-(2-hydroxy-phenyl)-4-oxo-butyric acid ethyl ester | 39496-84-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-hydroxy-phenyl)-4-oxo-butyric acid ethyl ester
• 英文别名: 4-(2-Hydroxy-phenyl)-4-oxo-buttersaeure-aethylester；ethyl 3-(o-hydroxybenzoyl)propionate；ethyl 4-(2-hydroxyphenyl)-4-oxobutanoate
• CAS: 39496-84-9
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: LHJKRORWBXZUOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(2-羟基苯甲酰基)丙酸 在 乙醇 、 mineral acid 作用下， 生成 4-(2-hydroxy-phenyl)-4-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  Raval; Bokil; Nargund, Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1938, vol. 7/3, p. 184,187

  摘要：

  DOI：

文献信息

• Pyridazinones
  申请人：BDH Pharmaceuticals Limited

  公开号：US03975388A1

  公开（公告）日：1976-08-17

  Compounds of the general formula: ##SPC1## In which X represents a straight or branched chain alkyl or alkoxy group, a hydroxymethyl group, a cycloalkyl group, a cycloalkoxy group, an aryloxy group, a hydroxyl group, a fluorine atom, a chlorine atom, an amino or substituted amino group, a piperidino group, a morpholino group, a pyrrolidino group, a 1,2,3,6-tetrahydropyridino group, a 4-[3-azabicyclo(3,2,2)-nonyl] group, or a 4-(piperazin-1-yl) or 4-(4-substituted-piperazin-1-yl) group of the formula ##SPC2## In which R=H, lower alkyl or 1-5 carbon atoms, aryl, substituted aryl, aralkyl, cinnamyl, acyl, ethoxy-carbonyl, aroyl or substituted aroyl and n is an integer from 1 to 5 except that when n is 1 X is not an alkyl group of 1 to 3 carbon atoms or an alkoxy group of 1 or 2 carbon atoms or a chlorine atom in the 4'-position, or an amino or acylated amino group in positions 2', 3' or 4'; and when n = 2 the groups X cannot both be methyl or both be methoxy in the 2' and 5' positions, nor can X be a chlorine atom in both the 2' and 4' positions or the 3' and 4' positions, and when n = 3, X cannot all three be methoxy. These compounds have anti-hypertensive activity.

  通用公式的化合物如下所示：##SPC1## 其中X代表直链或支链烷基或烷氧基，羟甲基，环烷基，环烷氧基，芳氧基，羟基，氟原子，氯原子，氨基或取代氨基，哌啶基，吗啉基，吡咯啉基，1,2,3,6-四氢吡啶基，4-[3-氮杂双环(3,2,2)-壬基]基，或4-(哌嗪-1-基)或4-(4-取代哌嗪-1-基)基的公式##SPC2## 其中R=H，低烷基或1-5个碳原子，芳基，取代芳基，芳基甲基，肉桂基，酰基，乙氧羰基，芳酰基或取代芳酰基，n是1到5的整数，但当n为1时，X不是1到3个碳原子的烷基或1或2个碳原子的烷氧基或4'-位的氯原子，或2'、3'或4'位的氨基或酰化氨基；当n=2时，X不能同时为2'和5'位的甲基或甲氧基，也不能为2'和4'位或3'和4'位的氯原子，当n=3时，X不能都是甲氧基。这些化合物具有降压活性。
• 6-(P-PIPERAZINO)-PHENYL-4,5-DIHYDRO-3(2H)pyridazinones
  申请人：BDH Pharmaceuticals Limited

  公开号：US04088762A1

  公开（公告）日：1978-05-09

  Compounds of the general formula: ##STR1## in which X represents A STRAIGHT OR BRANCHED CHAIN ALKYL OR ALKOXY GROUP, A hydroxymethyl group, A cycloalkoxy group, A hydroxyl group, A chlorine atom, A piperidino group, A pyrrolidino group A cycloalkyl group, An aryloxy group, A fluorine atom, An amino or substituted amino group, A morpholino group, A 1,2,3,6-tetrahydropyridino group, A 4-[3-azabicyclo(3,2,2)-nonyl] group, or a 4-(piperazin-1-yl) or 4-(4-substituted-piperazin-1-yl) group of the formula ##STR2## in which R.dbd.H, lower alkyl of 1-5 carbon atoms, aryl, substituted aryl, aralkyl, cinnamyl, acyl, ethoxy-carbonyl, aroyl or substituted aroyl and n is an integer from 1 to 5 except that when n is 1 X is not an alkyl group of 1 to 3 carbon atoms or an alkoxy group of 1 or 2 carbon atoms or a chlorine atom in the 4'-position, or an amino or acylated amino group in positions 2', 3' or 4'; and when n= 2 the groups X cannot both be methyl or both be methoxy in the 2' and 5' positions, nor can X be a chlorine atom in both the 2' and 4' positions or the 3' and 4' positions, and when n= 3, X cannot all three be methoxy. These compounds have anti-hypertensive activity.

  一般式为：##STR1## 的化合物，其中X代表直链或支链烷基或烷氧基，羟甲基，环烷氧基，羟基，氯原子，哌啶基，吡咯烷基，环烷基，芳氧基，氟原子，氨基或取代氨基，吗啉基，1,2,3,6-四氢吡啶基，4-[3-氮杂双环(3,2,2)-壬基]基，或公式##STR2##的4-(哌嗪-1-基)或4-(4-取代哌嗪-1-基)基团，其中R=dbd.H，1-5碳原子的低烷基，芳基，取代芳基，芳基烷基，肉桂基，酰基，乙氧羰基，芳酰基或取代芳酰基，n为1到5的整数，但当n为1时，X不是1到3碳原子的烷基或1或2碳原子的烷氧基或4'-位的氯原子，或2'、3'或4'位的氨基或酰化氨基；当n=2时，X不能同时为2'和5'位的甲基或甲氧基，也不能为2'和4'位或3'和4'位的氯原子；当n=3时，X不能全部为甲氧基。这些化合物具有抗高血压活性。
• Compounds effective against cerebral insufficiency
  申请人：SUNTORY LIMITED

  公开号：EP0322248A2

  公开（公告）日：1989-06-28

  Compounds having the formula (I): wherein A is -CH2-, -O-, or -S-; R1 is CH3 or OCH3; R2 is hydroxy or carboxy which may be optionally esterified or amidated; R3 is H or a lower alkyl; and n is 0 or an integer of 1 to 6, and pharmaceutically acceptable salts thereof, are disclosed. The compounds, and pharmaceutical compositions containing them, are used in therapy for cerebral insufficiency.

  具有式(I)的化合物： 其中 A 是-CH2-、-O-或-S-；R1 是 CH3 或 O ；R2 是羟基或羧基，可选择酯化或酰胺化；R3 是 H 或低级烷基；n 是 0 或 1 至 6 的整数。这些化合物和含有它们的药物组合物可用于治疗脑功能不全。
• US5057514A
  申请人：——

  公开号：US5057514A

  公开（公告）日：1991-10-15
• US5179092A
  申请人：——

  公开号：US5179092A

  公开（公告）日：1993-01-12