1-(3,4-dimethylbenzyl)imidazole hydrogen oxalate | 70759-06-7

• 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: 1-(3,4-dimethylbenzyl)imidazole hydrogen oxalate
• 英文别名: 1-[(3,4-dimethylphenyl)methyl]imidazole;oxalic acid
• CAS: 70759-06-7
• 化学式: C₂H₂O₄*C₁₂H₁₄N₂
• 分子量: 276.292
• InChiKey: ATFLFMQMKFNPPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  92.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  草酸 、 1-[(3,4-二甲基苯基)甲基]咪唑 在 ethanol petroleum ether 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以afforded 1-(3,4-dimethylbenzyl)imidazole hydrogen oxalate as a white solid, m.p. 92°-93°的产率得到1-(3,4-dimethylbenzyl)imidazole hydrogen oxalate
  参考文献：
  名称：

  1-[3-(2,4-Dichlorophenyl)propyl]imidazole and salts thereof

  摘要：

  一种治疗或预防哺乳动物或哺乳动物组织血栓栓塞疾病（ii）预防、治疗或预防心绞痛，或（iii）预防或延迟休克发生的方法，包括向哺乳动物或哺乳动物组织施用式中的非毒性有效量咪唑化合物：## STR1 ## 其中A是1到3个碳原子的直链或支链、饱和或不饱和的无环烃基，n为0或1，R为## STR2 ## 其中m为0或至少为1的整数，每个Q取代基（当m大于1时可能相同或不同）从1到4个碳原子的饱和或不饱和的烃基；1到4个碳原子的烷氧基；硝基；苯基；酰氧基；卤基；三卤甲基；羟基；羧基；此类羧基的盐；羧基烷氧基；羧基芳氧基；羧基芳基烷氧基；-NR.sup.6 R.sup.7和-CONR.sup.6 R.sup.7，其中R.sup.6和R.sup.7可能相同或不同，每个都是氢或1到4个碳原子的烷基；咪唑化合物是其自由碱基或药学上可接受的盐。该类咪唑化合物的药物制剂也是新颖的。提供了制备咪唑化合物的方法。

  公开号：

  US04431815A1

文献信息

• Imidazole derivatives and salts thereof
  申请人：Burroughs Wellcome Co.

  公开号：US04396771A1

  公开（公告）日：1983-08-02

  1-Substituted-imidazoles of the formula: ##STR1## in which A is selected from the group consisting of straight or branched, saturated or unsaturated, acyclic hydrocarbon radicals of from 1 to 3 carbon atoms and R is ##STR2## wherein n is an integer which is at least 1, and the or each Q substituent, which when n is greater than 1 may be the same or different, is selected from a saturated alkyl group of from 1 to 4 carbon atoms or an unsaturated alkyl group of from 2 to 4 carbon atoms, with the proviso that when A is unsaturated Q may also be selected from alkoxy of from 1 to 4 carbon atoms; halo; trihalomethyl; hydroxy; carboxyl; a salt of such a carboxyl group; carboalkyloxy; carboaryloxy; carboarylalkyloxy; --NR.sup.6 R.sup.7 or --CONR.sup.6 R.sup.7 ; in which R.sup.6 and R.sup.7 may be the same or different and are hydrogen or alkyl of from 1 to 4 carbon atoms; the 1-substituted-imidazole being the free base or an acid addition salt thereof. Methods of preparing the 1-substituted-imidazoles are also provided. The imidazoles have pharmacological properties that make them of use in the treatment of thromboembolic disorders, shock and angina pectoris.

  公式为：##STR1##的1-取代咪唑，其中A从由1到3个碳原子的直链或支链、饱和或不饱和的脂肪烃基组成的群体中选择，R为##STR2##其中n为至少为1的整数，每个Q取代基（当n大于1时可以相同或不同）从1到4个碳原子的饱和烷基或从2到4个碳原子的不饱和烷基中选择，但当A为不饱和时，Q也可以从1到4个碳原子的烷氧基；卤素；三卤甲基；羟基；羧基；此类羧基的盐；羧基烷氧基；羧基芳氧基；羧基芳基烷氧基；--NR.sup.6 R.sup.7或--CONR.sup.6 R.sup.7；其中R.sup.6和R.sup.7可以相同或不同，是氢或1到4个碳原子的烷基。1-取代咪唑可以是其自由碱或其酸加成盐。还提供了制备1-取代咪唑的方法。这些咪唑具有药理学特性，可用于治疗血栓栓塞性疾病，休克和心绞痛。
• Imidazole derivatives for treating myocardial infarction
  申请人：Burroughs Wellcome Co.

  公开号：US04405634A1

  公开（公告）日：1983-09-20

  1-Substituted-imidazoles of the formula: ##STR1## in which A is selected from the group consisting of straight or branched, saturated or unsaturated, acyclic hydrocarbon radicals of from 1 to 3 carbon atoms and R is ##STR2## wherein n is an integer which is at least 1, and the or each Q substituent, which when n is greater than 1 may be the same or different, is selected from a saturated alkyl group of from 1 to 4 carbon atoms or an unsaturated alkyl group of from 2 to 4 carbon atoms, with the proviso that when A is unsaturated Q may also be selected from alkoxy of from 1 to 4 carbon atoms; halo; trihalomethyl; hydroxy; carboxyl; a salt of such a carboxyl group; carboalkyloxy; carboaryloxy; carboarylalkyloxy; --NR.sup.6 R.sup.7 or --CONR.sup.6 R.sup.7 ; in which R.sup.6 and R.sup.7 may be the same or different and are hydrogen or alkyl of from 1 to 4 carbon atoms; the 1-substituted-imidazole being the free base or an acid addition salt thereof. Methods of preparing the 1-substituted-imidazoles are also provided. The imidazoles have pharmacological properties that make them of use in the treatment of thromboembolic disorders, shock and angina pectoris.

  公式为：##STR1## 其中A从1到3个碳原子的直链或支链、饱和或不饱和的脂肪烃基团中选择，R为##STR2## 其中n是至少为1的整数，当n大于1时，每个Q取代基可以相同或不同，从1到4个碳原子的饱和烷基或2到4个碳原子的不饱和烷基中选择，但当A为不饱和时，Q也可以从1到4个碳原子的烷氧基、卤素、三卤甲基、羟基、羧基、羧基盐、羧基烷氧基、羧基芳氧基、羧基芳基烷氧基、--NR.sup.6 R.sup.7或--CONR.sup.6 R.sup.7中选择，其中R.sup.6和R.sup.7可以相同或不同，是氢或从1到4个碳原子的烷基。1-取代咪唑是其自由碱或酸加成盐。还提供了制备1-取代咪唑的方法。咪唑具有药理学性质，可用于治疗血栓栓塞性疾病、休克和心绞痛。
• Imidazole derivatives and salts thereof, their synthesis, and
  申请人：Burroughs Wellcome Co.

  公开号：US04425354A1

  公开（公告）日：1984-01-10

  1-Substituted-imidazoles of the formula: ##STR1## in which A is selected from the group consisting of straight or branched, saturated or unsaturated, acyclic hydrocarbon radicals of from 1 to 3 carbon atoms and R is ##STR2## wherein n is an integer which is at least 1, and the or each Q substituent, which when n is greater than 1 may be the same or different, is selected from a saturated alkyl group of from 1 to 4 carbon atoms or an unsaturated alkyl group of from 2 to 4 carbon atoms, with the proviso that when A is unsaturated Q may also be selected from alkoxy of from 1 to 4 carbon atoms; halo; trihalomethyl; hydroxy; carboxyl; a salt of such a carboxyl group; carboalkyloxy; carboaryloxy; carboarylalkyloxy; --NR.sup.6 R.sup.7 or --CONR.sup.6 R.sup.7 ; in which R.sup.6 and R.sup.7 may be the same or different and are hydrogen or alkyl of from 1 to 4 carbon atoms; the 1-substituted-imidazole being the free base or an acid addition salt thereof. Methods of preparing the 1-substituted-imidazoles are also provided. The imidazoles have pharmacological properties that make them of use in the treatment of thromboembolic disorders, shock and angina pectoris.

  该文献描述了公式为：##STR1##的1-取代咪唑化合物，其中A从由1至3个碳原子组成的直链或支链、饱和或不饱和的脂肪烃基团中选择，R为##STR2##其中n是至少为1的整数，每个Q取代基（当n大于1时可能相同或不同）从1至4个碳原子的饱和烷基或2至4个碳原子的不饱和烷基中选择，但当A为不饱和时，Q也可以从1至4个碳原子的烷氧基、卤素、三卤甲基、羟基、羧基、这种羧基的盐、羧基烷氧基、羧基芳氧基、羧基芳基烷氧基、--NR.sup.6 R.sup.7或--CONR.sup.6 R.sup.7中选择，其中R.sup.6和R.sup.7可以相同或不同，为氢或1至4个碳原子的烷基。1-取代咪唑化合物可以是其自由碱或其酸加合盐。文献还提供了制备1-取代咪唑化合物的方法。这些咪唑化合物具有药理学特性，可用于治疗血栓栓塞性疾病、休克和心绞痛。
• Imidazole derivatives and angina pectoris
  申请人：Burroughs Wellcome Co.

  公开号：US04357340A1

  公开（公告）日：1982-11-02

  1-Substituted-imidazoles of the formula: ##STR1## in which A is selected from the group consisting of straight or branched, saturated or unsaturated, acyclic hydrocarbon radicals of from 1 to 3 carbon atoms and R is ##STR2## wherein n is an integer which is at least 1, and the or each Q substituent, which when n is greater than 1 may be the same or different, is selected from a saturated alkyl group of from 1 to 4 carbon atoms or an unsaturated alkyl group of from 2 to 4 carbon atoms, with the proviso that when A is unsaturated Q may also be selected from alkoxy of from 1 to 4 carbon atoms; halo; trihalomethyl; hydroxy; carboxyl; a salt of such a carboxyl group; carboalkyloxy; carboaryloxy; carboarylalkyloxy; --NR.sup.6 R.sup.7 or --CONR.sup.6 R.sup.7 ; in which R.sup.6 and R.sup.7 may be the same or different and are hydrogen or alkyl of from 1 to 4 carbon atoms; the 1-substituted-imidazole being the free base or an acid addition salt thereof. Methods of preparing the 1-substituted-imidazoles are also provided. The imidazoles have pharmacological properties that make them of use in the treatment of thromboembolic disorders, shock and angina pectoris.

  公式为：##STR1##的1-取代咪唑，其中A选择从1到3个碳原子的直链或支链、饱和或不饱和的脂肪烃基团，R为##STR2##其中n是至少为1的整数，每个Q取代基（当n大于1时可能相同或不同）选择从1到4个碳原子的饱和烷基或2到4个碳原子的不饱和烷基，但当A为不饱和时，Q也可以选择从1到4个碳原子的烷氧基，卤基，三卤甲基，羟基，羧基，此类羧基的盐，羧基烷氧基，羧基芳氧基，羧基芳基烷氧基，--NR.sup.6 R.sup.7或--CONR.sup.6 R.sup.7;其中R.sup.6和R.sup.7可能相同也可能不同，为氢或1到4个碳原子的烷基。1-取代咪唑为其自由碱基或其酸加成盐。还提供了制备1-取代咪唑的方法。这些咪唑具有药理学特性，可用于治疗血栓栓塞性疾病、休克和心绞痛。
• Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0003732B1

  公开（公告）日：1983-10-19