4-hydrazino-1H-2,3-benzoxazine | 19722-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-hydrazino-1H-2,3-benzoxazine
• 英文别名: 1H-benzo[d][1,2]oxazin-4-one hydrazone；4-Hydrazino-1H-<2,3>benzoxazine；4-Idrazino-1H-2,3-benzossazina；4-Hydrazino-1H-2,3-benzoxazin；1H-2,3-benzoxazin-4-ylidenehydrazine
• CAS: 19722-31-7
• 化学式: C₈H₉N₃O
• mdl: MFCD19216620
• 分子量: 163.179
• InChiKey: QSRDSEQRORITQY-UHFFFAOYSA-N

物化性质

• 沸点：
  303.8±45.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydrazino-1H-2,3-benzoxazine 以 乙醇 、 xylene 为溶剂， 反应 0.75h， 生成 [2-[5-(3-甲氧基苯基)-2H-1,2,4-三唑-3-基]苯基]甲醇
  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
• 作为产物：
  描述：

  4-chloro-1H-2,3-benzoxazine 在 肼 作用下， 生成 4-hydrazino-1H-2,3-benzoxazine
  参考文献：
  名称：

  Pifferi; Consonni; Testa, Farmaco, Edizione Scientifica, 1968, vol. 23, # 6, p. 554 - 567

  摘要：

  DOI：

文献信息

• 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：EP0011129A1

  公开（公告）日：1980-05-28

  Novel 1,2,4-triazole derivatives are described having the following formula wherein R represents hydrogen or methyl, R, stands for hydrogen or (C1-C4)alkyl, or R and R, taken together may represent a further bond between the carbon atom and the oxygen atom, R2 and R4, each independently, represent hydrogen, chloro, fluoro, bromo, (C1-C4)alkyl or (C1-C4)alkoxy, R3 stands for (C1-C4)alkyl, (C1-C4)alkoxy, allyloxy, propargyloxy, trifluoromethyl, phenyl, chloro, fluoro, bromo or dimethylamino or R3 and R4 taken together may represent a methytenedioxy 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.

  所述新型 1，2，4-三唑衍生物具有下式 其中R代表氢或甲基，R代表氢或(C1-C4)烷基，或R和R合在一起可代表碳原子和氧原子之间的进一步键，R2和R4各自独立地代表氢、氯、氟、溴、(C1-C4)烷基或(C1-C4)烷氧基，R3代表(C1-C4)烷基、R3代表(C1-C4)烷基、(C1-C4)烷氧基、烯丙基氧基、丙基氧基、三氟甲基、苯基、氯代、氟代、溴代或二甲基氨基，或 R3 和 R4 合在一起可代表甲基tenedioxy 基团。 此外，还描述了其制造工艺。本发明还要求将这些新型化合物用作抗生殖剂和含有它们作为活性成分的药物组合物。
• Pifferi,G. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 827 - 832
  作者：Pifferi,G. et al.

  DOI：——

  日期：——
• Pifferi,G.; Consonni,P., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 581 - 586
  作者：Pifferi,G.、Consonni,P.

  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：——
• 3,5-Diphenyl-1H-1,2,4-triazoles with contragestational activity, pharmaceutical compositions thereof and process for their preparation
  申请人：GRUPPO LEPETIT S.P.A.

  公开号：EP0080053B1

  公开（公告）日：1986-03-05