5-(3-methoxyphenoxy)-v-triazole-4-carboxylate | 79572-31-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(3-methoxyphenoxy)-v-triazole-4-carboxylate
• 英文别名: 5-(3-methoxyphenoxy)-1H-v-triazole-4-carboxylic acid；5-(3-Methoxy-phenoxy)-1H-[1,2,3]triazole-4-carboxylic acid；4-(3-methoxyphenoxy)-1H-triazole-5-carboxylic acid
• CAS: 79572-31-9
• 化学式: C₁₀H₉N₃O₄
• 分子量: 235.199
• InChiKey: BJENQCLSVYGDQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  97.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(3-methoxyphenoxy)-v-triazole-4-carboxylate 生成 6-Methoxy-9-oxo-1H,9H-benzopyrano<2,3-d>-1,2,3-triazole
  参考文献：
  名称：

  BUCKLE, D. R.;OUTRED, D. J.;ROCKELL, C. J. M.;SMITH, H.;SPICER, B. A., J. MED. CHEM., 1983, 26, N 2, 251-254

  摘要：

  DOI：
• 作为产物：
  描述：

  1-Benzyl-5-(3-methoxyphenoxy)triazole-4-carboxylic acid 以27%的产率得到
  参考文献：
  名称：

  BUCKLE, D. R.;OUTRED, D. J.;ROCKELL, C. J. M., J. HETEROCYCL. CHEM., 1981, 18, N 6, 1117-1122

  摘要：

  DOI：

文献信息

• Studies on<i>v</i>-triazoles. Part II. Synthesis of 9-oxo-1<i>H</i>,9<i>H</i>-benzopyrano[2,3-<i>d</i>]-<i>v</i>-triazoles
  作者：Derek R. Buckle、D. James Outred、Caroline J. M. Rockell

  DOI：10.1002/jhet.5570180612

  日期：1981.10

  under hydrogenolytic conditions to N-H triazoles 7. Saponification and cyclization with either polyphosphoric acid or phosphoric oxide in methanesulphonic acid leads to the novel 9-oxo-1H,9H-benzopyrano[2,3-d]-v-triazole system 9, members of which have potential as antiasthmatic agents.

  1-苄基-5-氯- v -三唑-4-羧酸乙酯（3）经历与容易苯酚离子的卤原子的亲核置换，得到aryloxytriazolecarboxylates 4其中debenzylate氢解的条件下，以NH三唑7。皂化和环化与甲磺酸通向新颖-9-氧代1或者多磷酸或磷酸氧化物ħ，9 ħ -苯并吡喃并[2,3- d ] - v -三唑系统9，其成员有可能作为抗哮喘药。
• Piperazine derivatives
  申请人：Beecham Group Limited

  公开号：US04405620A1

  公开（公告）日：1983-09-20

  Compounds of the formula (I), or pharmaceutically acceptable salts thereof ##STR1## wherein X is phenyl, optionally substituted by one halogen, C.sub.1-4 alkyl or C.sub.1-4 alkoxy; or pyridyl; R.sub.1 is hydrogen or C.sub.1-6 alkyl; and n is 1 to 6, pharmaceutical compositions containing them and a process for their preparation. These compounds are useful in the prophylaxis or treatment of diseases due to a histamine-mediated allergic response.

  化合物的公式（I）或其药学上可接受的盐##STR1##其中X是苯基，可以选择性地被一个卤素，C.sub.1-4烷基或C.sub.1-4烷氧基取代；或者吡啶基；R.sub.1是氢或C.sub.1-6烷基；n为1至6，包含它们的药物组合物以及它们的制备方法。这些化合物在预防或治疗由组胺介导的过敏反应引起的疾病中很有用。
• Pharmacologically active benzopyranotriazole compounds
  申请人：Beecham Group Limited

  公开号：US04427686A1

  公开（公告）日：1984-01-24

  A compound of the formula (I): ##STR1## wherein R.sub.1 is hydrogen or C.sub.1-6 alkyl; R.sub.2, R.sub.3 and R.sub.4 are the same or different and are chosen from hydrogen, hydroxyl, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy and C.sub.1-4 alkanoyl; G is H or OH; and m and n are independently 1 to 3; with the proviso that when G is OH, one of m or n is 1; is useful in the prophylaxis and treatment of diseases whose symptoms are controlled by the mediators of the allergic response, for example asthma, hay fever, rhinitis and allergic eczema.

  化合物的化学式为(I): ##STR1## 其中，R.sub.1是氢或C.sub.1-6烷基；R.sub.2，R.sub.3和R.sub.4相同或不同，选择自氢，羟基，卤素，C.sub.1-4烷基，C.sub.1-4烷氧基和C.sub.1-4酰基；G是H或OH；m和n独立地为1至3；但是当G为OH时，m或n之一为1；该化合物在预防和治疗由过敏反应介质控制的疾病的症状中是有用的，例如哮喘，花粉热，鼻炎和过敏性湿疹。
• Substituted benzopyranotriazoles and antiallergic use
  申请人：Beecham Group Limited

  公开号：US04454136A1

  公开（公告）日：1984-06-12

  Compounds of the formula (I): ##STR1## and pharmaceutically acceptable salts thereof, wherein R.sub.1 is hydrogen or C.sub.1-6 alkyl, and R.sub.2 is hydroxy, C.sub.1-4 alkylsulphonyloxy or p-toluenesulphonyloxy are useful for the prophylaxis and treatment of diseases due to allergic response in mammals. Processes for their preparation are described.

  式(I)的化合物及其药学上可接受的盐，其中R1是氢或C1-6烷基，R2是羟基、C1-4烷基磺酰氧基或对甲苯磺酰氧基，对哺乳动物过敏反应引起的疾病的预防和治疗有用。其制备方法已经描述。
• BUCKLE, D. R.;OUTRED, D. J.;ROCKELL, C. J. M., J. HETEROCYCL. CHEM., 1981, 18, N 6, 1117-1122
  作者：BUCKLE, D. R.、OUTRED, D. J.、ROCKELL, C. J. M.

  DOI：——

  日期：——