N-(3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide | 103361-04-2

• 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: N-(3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide
• 英文别名: 2-[4-(2-propynyl)-2H-1,4-benzoxazin-3(4H)-on-6-yl]-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione；Ppo-IN-7；2-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
• CAS: 103361-04-2
• 化学式: C₁₉H₁₆N₂O₄
• 分子量: 336.347
• InChiKey: MZRQAUFRLWLFIR-UHFFFAOYSA-N

物化性质

• 熔点：
  205-206 °C
• 沸点：
  642.3±55.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-Amino-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazine 、 3,4,5,6-四氢苯酐 在 溶剂黄146 作用下， 以 水 为溶剂， 生成 N-(3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide
  参考文献：
  名称：

  Tetrahydrophthalimides and their herbicidal use

  摘要：

  一种具有以下结构式的化合物：##STR1## 其中R.sub.1是氢原子，C.sub.1 -C.sub.5烷基，C.sub.3 -C.sub.4烯基，C.sub.3 -C.sub.4炔基，C.sub.1 -C.sub.4卤代烷基，C.sub.3 -C.sub.4卤代烯基，C.sub.3 -C.sub.4卤代炔基，C.sub.1 -C.sub.2烷氧(C.sub.1 -C.sub.2)烷基或C.sub.1 -C.sub.2烷氧(C.sub.1 -C.sub.2)烷氧(C.sub.1 -C.sub.2)烷基，R.sub.2和R.sub.3是相同或不同的氢原子，卤素原子，C.sub.1 -C.sub.3烷基或苯基，X是氢原子，氯原子或氟原子，n是0或1的整数，可用作除草剂。

  公开号：

  US04640707A1

文献信息

• 1,4-benzoxazin-3-one-6-(amino or nitro) intermediates
  申请人：Sumitomo Chemical Company, Ltd.

  公开号：US04792605A1

  公开（公告）日：1988-12-20

  A compound of the formula: ##STR1## wherein R.sub.1 is a hydrogen atom, a C.sub.1 -C.sub.5 alkyl group, a C.sub.3 -C.sub.4 alkenyl group, a C.sub.3 -C.sub.4 alkynyl group, a C.sub.1 -C.sub.4 haloalkyl group, a C.sub.3 -C.sub.4 haloalkenyl group, a C.sub.3 -C.sub.4 haloalkynyl group a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkyl group or a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkoxy(C.sub.1 -C.sub.2)alkyl group, R.sub.2 and R.sub.3 are, the same or different, each a hydrogen atom, a halogen atoms, a C.sub.1 -C.sub.3 alkyl group or a phenyl group, X is a hydrogen atom, a chlorine atom or a fluorine atom and n is an interger of 0 or 1, which is useful as a herbicide.

  该化合物的化学式为：##STR1## 其中R.sub.1是氢原子、C.sub.1-C.sub.5烷基、C.sub.3-C.sub.4烯基、C.sub.3-C.sub.4炔基、C.sub.1-C.sub.4卤代烷基、C.sub.3-C.sub.4卤代烯基、C.sub.3-C.sub.4卤代炔基、C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷基或C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷氧基(C.sub.1-C.sub.2)烷基，R.sub.2和R.sub.3是相同或不同的氢原子、卤素原子、C.sub.1-C.sub.3烷基或苯基，X是氢原子、氯原子或氟原子，n是0或1的整数，它可用作除草剂。
• Intermediates for the production of tetrahydrophthalimides
  申请人：Sumitomo Chemical Company, Ltd.

  公开号：US04880925A1

  公开（公告）日：1989-11-14

  A compound of the formula: ##STR1## wherein R.sub.1 is a hydrogen atom, a C.sub.1 -C.sub.5 alkyl group, a C.sub.3 -C.sub.4 alkenyl group, a C.sub.3 -C.sub.4 alkynyl group, a C.sub.1 -C.sub.4 haloalkyl group, a C.sub.3 -C.sub.4 haloalkenyl group, a C.sub.3 -C.sub.4 haloalkynyl group, a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkyl group or a C.sub.1 -C.sub.2 alkoxy(C.sub.1 -C.sub.2)alkoxy(C.sub.1 -C.sub.2)alkyl group, R.sub.2 and R.sub.3 are, the same or different, each a hydrogen atom, a halogen atom, a C.sub.1 -C.sub.3 alkyl group or a phenyl group, X is a hydrogen atom, a chlorine atom or a fluorine atom and n is an integer of 0 or 1, which is useful as a herbicide.

  该化合物的化学式为：##STR1## 其中R.sub.1是氢原子，C.sub.1-C.sub.5烷基，C.sub.3-C.sub.4烯基基团，C.sub.3-C.sub.4炔基团，C.sub.1-C.sub.4卤代烷基，C.sub.3-C.sub.4卤代烯基基团，C.sub.3-C.sub.4卤代炔基团，C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷基团或C.sub.1-C.sub.2烷氧基(C.sub.1-C.sub.2)烷氧基(C.sub.1-C.sub.2)烷基团，R.sub.2和R.sub.3是相同或不同的氢原子，卤素原子，C.sub.1-C.sub.3烷基或苯基，X是氢原子，氯原子或氟原子，n是0或1的整数，该化合物可用作除草剂。
• Tetrahydrophtalimides, and their production and use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0170191A2

  公开（公告）日：1986-02-05

  A compound of the formula: wherein R1 is a hydrogen atom, a C1-C5 alkyl group, a C3-C4 alkenyl group, a C3-C4 alkynyl group, a C1-C4 haloalkyl group, a C3-C4 haloalkenyl group, a C3-C4 haloalkynyl group, a C1-C2 alkoxy(C1-C2)alkyl group or a C1-C2-alkoxy(C1-C2)-alkoxy (C1-C2)alkyl group, R2 and R3 are, the same or different, each a hydrogen atom, a halogen atom, a C1-C3 alkyl group or a phenyl group, X is a hydrogen atom, a chlorine atom or a fluorine atom and n is an integer of 0 or 1, which is useful as a herbicide.

  式中的化合物： 其中 R1 是氢原子、C1-C5 烷基、C3-C4 烯基、C3-C4 炔基、C1-C4 卤代烷基、C3-C4 卤代烯基、C3-C4 卤代炔基、C1-C2 烷氧基(C1-C2)烷基或 C1-C2- 烷氧基(C1-C2)-烷氧基(C1-C2)烷基、R2 和 R3 相同或不同，各自为氢原子、卤素原子、C1-C3 烷基或苯基，X 为氢原子、氯原子或氟原子，n 为 0 或 1 的整数，可用作除草剂。
• NAGANO, EIKI;HAGA, TORU;SATO, RYO;MORITA, KOUICHI
  作者：NAGANO, EIKI、HAGA, TORU、SATO, RYO、MORITA, KOUICHI

  DOI：——

  日期：——
• ——
  作者：NAGANO XIDEHESI、 XAGA TORU、 SATO MAKOTO、 MORITA KOITI

  DOI：——

  日期：——