1-phenyl-4-(N,N-diethylcarbamyl)-5(4H)-tetrazolinone | 98377-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-4-(N,N-diethylcarbamyl)-5(4H)-tetrazolinone
• 英文别名: 1-phenyl-4-(N,N-diethylcarbamyl)-5(4H)tetrazolinone；N,N-diethyl-5-oxo-4-phenyltetrazole-1-carboxamide
• CAS: 98377-11-8
• 化学式: C₁₂H₁₅N₅O₂
• 分子量: 261.283
• InChiKey: KEDUHBBZNGNDSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-苯基-1,4-二氢-5H-四唑-5-酮 、 N,N-二乙基氯甲酰胺 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以57%的产率得到1-phenyl-4-(N,N-diethylcarbamyl)-5(4H)-tetrazolinone
  参考文献：
  名称：

  Substituted tetrazolinones and herbicidal compositions thereof

  摘要：

  替代四唑酮表现出作为除草剂、后喷除草剂和植物生长调节剂的用途。

  公开号：

  US04826529A1

文献信息

• Substituted tetrazolinones and their use as herbicides
  申请人：Uniroyal Chemical Company, Inc.

  公开号：US04618365A1

  公开（公告）日：1986-10-21

  A compound having the formula the formula ##STR1## where R is C.sub.1 -C.sub.12 alkyl, C.sub.5 -C.sub.6 cycloalkyl, C.sub.2 -C.sub.13 alkoxyalkyl, C.sub.7 -C.sub.9 aralkyl, phenyl, naphthyl, phenyl substituted with F, Cl, Br, I, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, methylenedioxy, NR.sup.3 R.sup.4 wherein R.sup.3 and R.sup.4 are the same or different and are hydrogen or C.sub.1 -C.sub.6 alkyl, C.sub.2 -C.sub.5 alkoxycarbonyl, phenoxy, NO.sub.2, cyano, trihalomethyl or trihalomethoxy where halo is F, Cl or Br or benzyl substituted with F, Cl, Br, I, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, methylenedioxy, C.sub.2 -C.sub.5 alkoxycarbonyl, carboxy, phenoxy, NO.sub.2, cyano, trihalomethyl or trihalomethoxy where halo is F, Cl or Br; R.sup.1 and R.sup.2 are the same or different and are C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 alkenyl, C.sub.5 -C.sub.6 cycloalkyl or R.sup.1 and R.sup.2 together are C.sub. 4 -C.sub.8 alkylene or C.sub.4 -C.sub.8 oxydialkylene is disclosed. Furthermore, a process for forming this compound by reacting a compound having the formula ##STR2## wherein M is hydrogen or an alkali metal such as Li, Na or K and R has the meanings given above with a carbamoyl halide having the formula XCONR.sup.1 R.sup.2, wherein X is chlorine or bromine and R.sup.1 and R.sup.2 have the meanings above is taught. In addition, a method of controlling weeds, both preemergence and postemergence, using a herbicidally effective amount of the compound of this invention is set forth. Finally, a composition is disclosed, comprising the compound of this invention and a carrier therefor.

  本发明揭示了一种具有以下结构式的化合物：##STR1## 其中R是C.sub.1-C.sub.12烷基，C.sub.5-C.sub.6环烷基，C.sub.2-C.sub.13烷氧基烷基，C.sub.7-C.sub.9芳基烷基，苯基，萘基，被F、Cl、Br、I、C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，亚甲二氧基取代的苯基，NR.sup.3 R.sup.4，其中R.sup.3和R.sup.4相同或不同，是氢或C.sub.1-C.sub.6烷基，C.sub.2-C.sub.5烷氧羰基，苯氧基，NO.sub.2，氰基，三卤甲基或三卤甲氧基，其中卤是F、Cl或Br，或被F、Cl、Br、I、C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，亚甲二氧基，C.sub.2-C.sub.5烷氧羰基，羧基，苯氧基，NO.sub.2，氰基，三卤甲基或三卤甲氧基，其中卤是F、Cl或Br取代的苄基；R.sup.1和R.sup.2相同或不同，是C.sub.1-C.sub.6烷基，C.sub.3-C.sub.6烯基，C.sub.5-C.sub.6环烷基或R.sup.1和R.sup.2一起是C.sub.4-C.sub.8烷基或C.sub.4-C.sub.8氧二烷基。此外，本发明还公开了通过将具有以下结构式的化合物与具有以下结构式的氨基甲酰卤反应来制备该化合物的方法：##STR2## 其中M是氢或碱金属，如Li、Na或K，R具有上述含义，X是氯或溴，R.sup.1和R.sup.2具有上述含义。此外，本发明还公开了使用本发明化合物的除草剂有效量来控制草本植物，包括发芽前和发芽后，以及包含本发明化合物和载体的组合物。
• Substituted tetrazolinones useful as herbicides
  申请人：UNIROYAL CHEMICAL COMPANY, Inc.

  公开号：EP0146279A1

  公开（公告）日：1985-06-26

  A compound having the formula the formula where R is C1-C12 alkyl, C5-C6 cycloalkyl, C2-C13 alkoxyalkyl, C7-C9 aralkyl, phenyl, naphthyl, phenyl substituted with F, Cl, Br, 1, C1-C4 alkyl, C1-C4 alkoxy, methylenedioxy, NR3R4 wherein R3 and R4 are the same or different and are hydrogen or C1-C6 alkyl, C2-C5 alkoxycarbonyl, phenoxy, NO2, cyano, trihalomethyl or trihalomethoxy where halo is F, Cl or Br or benzyl substituted with F, Cl, Br, I, C1-C4 alkyl, C1-C4 alkoxy, methylenedioxy, C2-C5 alkoxycarbonyl, carboxy, phenoxy, NO2, cyano, trihalomethyl or trihalomethoxy where halo is F, Cl or Br; R1 and R2 are the same or different and are C1-C6 alkyl, C3-C6 alkenyl, C5-C6 cycloalkyl or R1 and R2 together are C4-C8 alkylene or C4-C8 oxydialkylene is disclosed. Furthermore, a process for forming this compound by reacting a compound having the formula wherein M is hydrogen or an alkali metal such as Li, Na or K and R has the meanings given above with a carbamoyl halide having the formula XCONR1R2, wherein X is chlorine or bromine and R1 and R2 have the meanings above is taught. In addition, a method of controlling weeds, both preemergence and postemergence, using a herbicidally effective amount of the compound of this invention is set forth. Finally, a composition is disclosed, comprising the compound of this invention and a carrier therefor.

  具有如下式子的化合物 其中 R 是 C1-C12 烷基、C5-C6 环烷基、C2-C13 烷氧基烷基、C7-C9 芳烷基、苯基、萘基、被 F、Cl、Br、1、C1-C4 烷基、C1-C4 烷氧基、亚甲基二氧基取代的苯基、NR3R4（其中 R3 和 R4 相同或不同，并且是氢、C1-C6 烷基、C2-C5 烷氧基羰基苯氧基、NO2、氰基、三卤甲基或三卤甲氧基（其中卤素为 F、Cl 或 Br），或被 F、Cl、Br、I、C1-C4 烷基、C1-C4 烷氧基、亚甲基二氧基、C2-C5 烷氧羰基、羧基、苯氧基、 、氰基、三卤甲基或三卤甲氧基（其中卤素为 F、Cl 或 Br）取代的苄基；R1 和 R2 相同或不同，并且是 C1-C6 烷基、C3-C6 烯基、C5-C6 环烷基或 R1 和 R2 合在一起是 C4-C8 亚烷基或 C4-C8 氧二亚烷基。 此外，本发明还公开了一种通过与具有以下式子的化合物反应形成该化合物的工艺 其中 M 是氢或碱金属，如 Li、Na 或 K，R 具有上述含义；与具有式 XCONR1R2 的氨基甲酰基卤化物反应，其中 X 是氯或溴，R1 和 R2 具有上述含义。 此外，还阐述了一种使用除草有效量的本发明化合物控制杂草的方法，包括芽前和芽后。 最后，公开了一种由本发明化合物及其载体组成的组合物。
• Substituted tetrazolinones
  申请人：UNIROYAL CHEMICAL COMPANY, Inc.

  公开号：EP0202929A2

  公开（公告）日：1986-11-26

  Substituted tetrazolinones exhibit usefulness as pre- emergent herbicides, post-emergent herbicides and plant growth regulators.

  取代的四唑啉酮可用作芽前除草剂、芽后除草剂和植物生长调节剂。
• COVEY, RUPERT A.;FORBES, PATRICIA J.;BELL, ALLYN R.;BLEM, ALLEN R.
  作者：COVEY, RUPERT A.、FORBES, PATRICIA J.、BELL, ALLYN R.、BLEM, ALLEN R.

  DOI：——

  日期：——
• US4618365A
  申请人：——

  公开号：US4618365A

  公开（公告）日：1986-10-21