1H-1,2,4-triazol-1-ylphosphonic acid diethyl ester | 84595-22-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 1H-1,2,4-triazol-1-ylphosphonic acid diethyl ester
• 英文别名: diethyl-(1H-1,2,4-triazol-1-yl)-methylphosphonat；diethyl (1H-1,2,4-triazol-1-yl)methylphosphonate；Diethyl [(1H-1,2,4-triazol-1-yl)methyl]phosphonate；1-(diethoxyphosphorylmethyl)-1,2,4-triazole
• CAS: 84595-22-2
• 化学式: C₇H₁₄N₃O₃P
• 分子量: 219.18
• InChiKey: SRBKSXOZIMVKTK-UHFFFAOYSA-N

物化性质

• 沸点：
  350.8±44.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1H-1,2,4-triazol-1-ylphosphonic acid diethyl ester 在 盐酸 作用下， 生成 1-(1H-1,2,4-triazol-1-yl)-methylphosphonsaure
  参考文献：
  名称：

  Maier, Ludwig; Kunz, Walter, Phosphorus and Sulfur and the Related Elements, 1987, vol. 30, p. 201 - 204

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium diethyl phosphite 、 氯甲基三氮唑 以 乙腈 为溶剂， 反应 16.0h， 以yields 19.1 g (56.5%) of diethyl (1H-1,2,4-triazol-1-yl)methylphosphonate in the form of a colourless oil with a boiling point of 120°-129° C./0.053 mb的产率得到1H-1,2,4-triazol-1-ylphosphonic acid diethyl ester
  参考文献：
  名称：

  Triazolylalkenes as fungicides and plant growth regulants

  摘要：

  本发明涉及一种新型的一般式I的唑基-烯烃衍生物，其中R.sub.1是唑基基团，R.sub.2是C.sub.1-C.sub.12烷基，C.sub.3-C.sub.8环烷基，C.sub.1-C.sub.4烷基，该烷基被未取代或取代的苯基取代，C.sub.1-C.sub.4烷氧羰基或C.sub.2-C.sub.6烯基，或者是被1-4个C.sub.1-C.sub.4烷基基团取代的C.sub.3-C.sub.8环烷基，R.sub.3是C.sub.1-C.sub.12烷基，被1-4个C.sub.1-C.sub.4烷基基团取代的C.sub.3-C.sub.8环烷基，或者是--C(R.sub.4)(R.sub.5)-[CH(R.sub.4)].sub.n-X-R.sub.6基团，其中n为0或1，R.sub.4和R.sub.5独立地为氢或C.sub.1-C.sub.4烷基，X为氧或硫，R.sub.6是从C.sub.1-C.sub.8烷基，C.sub.3-C.sub.8环烷基，C.sub.3-C.sub.6烯基，C.sub.3-C.sub.6炔基，苯基，萘基，联苯基，苯甲基苯基，苯氧基苯基，苯基氧基苯基和芳基烷基中选择的基团，该基团被一个或多个卤素，氰基，C.sub.1-C.sub.4烷基，C.sub.1-C.sub.5烷氧基，C.sub.1-C.sub.5卤代烷氧基，C.sub.1-C.sub.3烷基硫，C.sub.1-C.sub.3卤代烷基，C.sub.1-C.sub.3卤代烷基硫，硝基，--COOR.sub.7或--CON(R.sub.8)(R.sub.9)，其中R.sub.7为C.sub.1-C.sub.4烷基，R.sub.8和R.sub.9独立地为氢或C.sub.1-C.sub.4烷基，以及酸加成盐，季铵盐和金属络合物。本发明还描述了制备这些化合物的方法以及包含其中一种化合物作为活性成分的农药组合物。本发明进一步描述了一种控制植物病原微生物和/或调节植物生长的方法，其中采用了新型化合物。

  公开号：

  US04497647A1

文献信息

• Maier, Ludwig; Kunz, Walter; Rist, Guenther, Phosphorus and Sulfur and the Related Elements, 1987, vol. 33, p. 41 - 52
  作者：Maier, Ludwig、Kunz, Walter、Rist, Guenther

  DOI：——

  日期：——
• Anderson, D. Keith; Sikorski, James A., Journal of Heterocyclic Chemistry, 1992, vol. 29, # 1, p. 177 - 180
  作者：Anderson, D. Keith、Sikorski, James A.

  DOI：——

  日期：——
• Maier, Ludwig; Kunz, Walter, Phosphorus and Sulfur and the Related Elements, 1987, vol. 30, p. 201 - 204
  作者：Maier, Ludwig、Kunz, Walter

  DOI：——

  日期：——
• Triazolylalkenes as fungicides and plant growth regulants
  申请人：Ciba-Geigy Corporation

  公开号：US04497647A1

  公开（公告）日：1985-02-05

  The invention relates to novel azolyl-olefin derivatives of the general formula I ##STR1## wherein R.sub.1 is an azolyl group, R.sub.2 is C.sub.1 -C.sub.12 alkyl, C.sub.3 -C.sub.8 cycloalkyl, C.sub.1 -C.sub.4 alkyl substituted by unsubstituted or substituted phenyl, C.sub.1 -C.sub.4 alkoxycarbonyl or C.sub.2 -C.sub.6 alkenyl, or is C.sub.3 -C.sub.8 cycloalkyl which is substituted by 1 to 4 C.sub.1 -C.sub.4 alkyl groups, R.sub.3 is C.sub.1 -C.sub.12 alkyl, C.sub.3 -C.sub.8 cycloalkyl which is substituted by 1 to 4 C.sub.1 -C.sub.4 alkyl groups, or is the --C(R.sub.4)(R.sub.5)--[CH(R.sub.4)].sub.n --X--R.sub.6 group, wherein n is 0 or 1 and R.sub.4 and R.sub.5, each independently of the other, are hydrogen or C.sub.1 -C.sub.4 alkyl, X is oxygen or sulfur, R.sub.6 is a radical selected from the group consisting of C.sub.1 -C.sub.8 alkyl, C.sub.3 -C.sub.8 cycloalkyl, C.sub.3 -C.sub.6 alkenyl, C.sub.3 -C.sub.6 alkynyl, phenyl, naphthyl, biphenyl, benzylphenyl, benzoxyphenyl, phenoxyphenyl and aralkyl, which radical is substituted by one or more of halogen, cyano, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.5 alkoxy, C.sub.1 -C.sub.5 haloalkoxy, C.sub.1 -C.sub.3 alkylthio, C.sub.1 -C.sub.3 haloalkyl, C.sub.1 -C.sub.3 haloalkylthio, nitro, --COOR.sub.7 or --CON(R.sub.8)(R.sub.9), wherein R.sub.7 is C.sub.1 -C.sub.4 alkyl and R.sub.8 and R.sub.9, each independently of the other, are hydrogen or C.sub.1 -C.sub.4 alkyl, and the acid addition salts quaternary azolium salts and metal complexes thereof. The invention also describes methods of preparing these compounds as well as agrochemical compositions which contain one of said compounds as active ingredient. The invention further describes a method of controlling phytopathogenic microorganisms and/or of regulating plant growth which comprises the use of the novel compounds.

  该发明涉及一种新型的杂环烯烃衍生物，其一般式为I，其中R1为杂环烷基，R2为C1-C12烷基，C3-C8环烷基，C1-C4烷基被未取代或取代苯基取代，C1-C4烷氧羰基或C2-C6烯基，或为被1至4个C1-C4烷基基团取代的C3-C8环烷基，R3为C1-C12烷基，被1至4个C1-C4烷基基团取代的C3-C8环烷基，或为--C(R4)(R5)-[CH(R4)]n-X-R6基团，其中n为0或1，R4和R5各自独立地为氢或C1-C4烷基，X为氧或硫，R6为C1-C8烷基，C3-C8环烷基，C3-C6烯基，C3-C6炔基，苯基，萘基，联苯基，苄基苯基，苯氧基苯基和芳基烷基中选择的基团，该基团被一个或多个卤素，氰基，C1-C4烷基，C1-C5烷氧基，C1-C5卤代烷氧基，C1-C3烷基硫，C1-C3卤代烷基，C1-C3卤代烷基硫，硝基，--COOR7或--CON（R8）（R9）取代，其中R7为C1-C4烷基，R8和R9各自独立地为氢或C1-C4烷基，并且该发明还涉及其酸加成盐、季铵盐和金属配合物。该发明还描述了制备这些化合物的方法，以及包含其中一种化合物作为活性成分的农药组合物。该发明还描述了一种控制植物病原微生物和/或调节植物生长的方法，该方法包括使用这种新化合物。