2-<3-(3-methoxyphenyl)-s-triazol-5-yl>benzaldehyde | 76217-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-<3-(3-methoxyphenyl)-s-triazol-5-yl>benzaldehyde
• 英文别名: 2-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3yl]benzaldehyde；2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]benzaldehyde
• CAS: 76217-33-9
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: PCFSPPLIZQJVEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-hydrazino-1H-2,3-benzoxazine 在 manganese(IV) oxide 作用下， 以 乙醇 、 xylene 、 苯 为溶剂， 反应 10.75h， 生成 2-<3-(3-methoxyphenyl)-s-triazol-5-yl>benzaldehyde
  参考文献：
  名称：

  A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles

  摘要：

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.

  DOI：

  10.1021/jm00362a018

文献信息

• 1,2,4-Triazole derivatives as antifertility agents and pharmaceutical
  申请人：Gruppo Lepetit S.p.A.

  公开号：US04370337A1

  公开（公告）日：1983-01-25

  Novel 1,2,4-triazole derivatives are described having the following formula ##STR1## wherein R represents hydrogen or methyl, R.sub.1 stands for hydrogen or (C.sub.1 -C.sub.4)alkyl, or R and R.sub.1 taken together may represent a further bond between the carbon atom and the oxygen atom, R.sub.2 and R.sub.4, each independently, represent hydrogen, chloro, fluoro, bromo, (C.sub.1 -C.sub.4)alkyl or (C.sub.1 -C.sub.4)alkoxy, R.sub.3 stands for (C.sub.1 -C.sub.4)alkyl, (C.sub.1 -C.sub.4)alkoxy, allyloxy, propargyloxy, trifluoromethyl, phenyl, chloro, fluoro, bromo or dimethylamino or R.sub.3 and R.sub.4 taken together may represent a methylenedioxy group. Also described is a process for their manufacture. Use of the novel compounds as antireproductive agents and pharmaceutical compositions containing them as active ingredient are also claimed.

  描述了一种具有以下结构式的新型1,2,4-三唑衍生物 ##STR1## 其中R代表氢或甲基，R.sub.1代表氢或（C.sub.1-C.sub.4）烷基，或R和R.sub.1一起表示碳原子和氧原子之间的进一步键合，R.sub.2和R.sub.4各自独立地表示氢，氯，氟，溴，（C.sub.1-C.sub.4）烷基或（C.sub.1-C.sub.4）烷氧基，R.sub.3代表（C.sub.1-C.sub.4）烷基，（C.sub.1-C.sub.4）烷氧基，烯丙氧基，丙炔氧基，三氟甲基，苯基，氯，氟，溴或二甲基氨基，或R.sub.3和R.sub.4一起表示亚甲二氧基基团。还描述了它们的制造过程。还声明了将新型化合物用作抗生育剂以及含有它们作为活性成分的制药组合物的用途。
• OMODEL-SALE, A.;COSSONAI, P.;GALLIANI, G.
  作者：OMODEL-SALE, A.、COSSONAI, P.、GALLIANI, G.

  DOI：——

  日期：——
• OMODEI-SALE, A.;CONSONNI, P.;GALLIANI, G., J. MED. CHEM., 1983, 26, N 8, 1187-1192
  作者：OMODEI-SALE, A.、CONSONNI, P.、GALLIANI, G.

  DOI：——

  日期：——
• New 1,2,4-triazole derivatives, a process for their manufacture and pharmaceutical compositions containing them
  申请人：GRUPPO LEPETIT S.P.A.

  公开号：EP0011129B1

  公开（公告）日：1981-11-11
• US4370337A
  申请人：——

  公开号：US4370337A

  公开（公告）日：1983-01-25