2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)aniline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)aniline
• 英文别名: 2-(5-amino-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione；N-(5-amino-4-chloro-2-fluorophenyl)-3,4,5,6-tetrahydrophthalimide；2-(4-chloro-2-fluoro-5-aminophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione；N-(3-amino-4-chloro-6-fluorophenyl)-3,4,5,6-tetrahydrophthalimide；2-(5-amino-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
• 化学式: C₁₄H₁₂ClFN₂O₂
• 分子量: 294.713
• InChiKey: SWZLSCLJPOHBAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)aniline 生成 2-[4-chloro-5-(diethoxyphosphorylamino)-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
  参考文献：
  名称：

  THEODORIDIS, GEORGE

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-chloro-2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione 在 铁粉 resultant filtrate 、 乙酸乙酯 、 碳酸氢钠 、 Brine 、 magnesium sulfate 作用下， 以 溶剂黄146 为溶剂， 反应 0.83h， 以to give the title product as a yellow solid (8.94 g, 94% yield, mp 164-165° C.)的产率得到2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)aniline
  参考文献：
  名称：

  1 - (3-heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents

  摘要：

  提供了式子I1中的1-(3-杂环苯基)异硫脲、异脲、鸟嘌呤和脒类化合物，此外还提供了包含这些化合物的组合物和方法，用于控制不良植物物种。

  公开号：

  US20020137929A1

文献信息

• Substituted aromatic phoshonic acid derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US06175007B1

  公开（公告）日：2001-01-16

  Phosphonic acid compounds I wherein Eth is optionally substituted 1,2-ethynediyl, ethanediyl or ethene-1,2-diyl; Y1 is oxygen or sulfur; Y2 is oxygen, sulfur or —N(R6)—; Y3 is oxygen, sulfur or —N(R7)—; R1, R2, R6 and R7 are hydrogen or optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, phenyl or heterocyclyl, or R1 and R2, R1 and R6, R2 and R7 together are optionally substituted 1,2-ethanediyl, 1,3-propylene, tetramethylene, pentamethylene or ethyleneoxyethylene, or R1 and R2 together are optionally substituted 1,2-phenylene; R3 is cyano, halogen, alkyl, haloalkyl, alkoxy or haloalkoxy; R4 is hydrogen or halogen, and R5 is a heterocycle &PHgr;1 to &PHgr;22 as defined in the specification, their manufacture and intermediates therefore. The phosphonic acid compounds are effective against unwanted plants and act as desiccants and defoliants.

  磷酸化合物 I 其中 Eth 可选择地取代为 1,2-乙炔基、乙二基或乙烯-1,2-二基; Y1 为氧或硫; Y2 为氧、硫或—N(R6)—; Y3 为氧、硫或—N(R7)—; R1、R2、R6 和 R7 为氢或 可选择地取代的烷基、烯基、炔基、环烷基、苯基或杂环基，或 R1 和 R2、R1 和 R6、R2 和 R7 一起可选择地取代为 1,2-乙二基、1,3-丙二基、四亚甲基、五亚甲基或乙烯氧基乙烯，或 R1 和 R2 一起可选择地取代为 1,2-苯基; R3 为氰基、卤素、烷基、卤代烷基、烷氧基或卤代烷氧基; R4 为氢或卤素，且 R5 为规范中定义的杂环 &PHgr;1 至 &PHgr;22, 它们的制备及其中间体。这些磷酸化合物对不受欢迎的植物有效，并起到脱水剂和落叶剂的作用。
• ORGANIC PHOSPHORUS COMPOUNDS 106.¹ A ³¹P-NMR STUDY OF PHOSPHINOUS-, PHOSPHINIC-, AND THIOPHOSPHINIC AMIDES
  作者：Ludwig Maier、Peter J. Diel

  DOI：10.1080/10426509608037973

  日期：1996.8.1

  Abstract The synthesis, physical, chemical and spectroscopic properties of eight different types of phosphinous-, phosphinic- and thiophosphinic amides are reported. It is shown that the 31P-chem. shifts of tertiary amides are at lower magnetic field than that of secondary amides. As an exception, in the bis(tertiary butyl) series this trend is reversed.

  摘要 报道了八种不同类型的次膦酰胺、次膦酰胺和硫代次膦酰胺的合成、物理、化学和光谱性质。结果表明，31P-chem. 叔酰胺的位移磁场低于仲酰胺的磁场。作为一个例外，在双（叔丁基）系列中，这种趋势发生了逆转。
• Synthesis and crystal structure of 3-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluorophenyl)-2,2-dimethylpropanamide
  作者：Huang Ming-Zhi、Ma Yang-Guang、Huang Ke-Long、Ren Ye-Guo、Yin Du-Lin、Song Hai-Bin

  DOI：10.1007/s10870-005-2441-z

  日期：2005.6

  The title compound 3-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluorophenyl)-2,2-dimethylpropanamide was synthesized by the reaction of 2-(5-amino-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione with 3-chloro-2,2-dimethylpropanoyl chloride. Its structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic, space group P-1 with the following crystallographic parameters: a = 9.595(3) Å, b = 12.093(4) Å, c = 18.433(6) Å, α = 83.961(5)∘, β = 84.819(5)∘, γ = 67.920(5)∘, μ = 0.361 mm−1, V = 1967.9(10) Å3, Z = 4, Dx = 1.395 mg/m3, F(000) = 856, T = 293(2) K, 1.11∘ ≤ θ ≤ 25.01∘. The X-ray results demonstrated that the reaction of 2-(5-amino-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione with 3-chloro-2,2-dimethylpropanoyl chloride in tetrahydrofuran at room temperature yielded 3-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluorophenyl)-,2-dimethylpropanamide.

  标题化合物3-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluorophenyl)-2,2-dimethylpropanamide是通过将2-(5-amino-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione与3-chloro-2,2-dimethylpropanoyl chloride反应合成的。其结构通过X射线单晶衍射法确定。晶体属于三斜晶系，空间群为P-1，具有以下结晶参数：a = 9.595(3) Å，b = 12.093(4) Å，c = 18.433(6) Å，α = 83.961(5)°，β = 84.819(5)°，γ = 67.920(5)°，μ = 0.361 mm−1，V = 1967.9(10) ų，Z = 4，Dx = 1.395 mg/m³，F(000) = 856，T = 293(2) K，1.11° ≤ θ ≤ 25.01°。X射线结果表明，2-(5-amino-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione与3-chloro-2,2-dimethylpropanoyl chloride在室温下的四氢呋喃中反应生成了3-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluorophenyl)-2,2-dimethylpropanamide。
• Substituted cyclohexene-1,2-dicarboxylic acid derivatives and
  申请人：BASF Aktiengesellschaft

  公开号：US05817603A1

  公开（公告）日：1998-10-06

  Substituted cyclohexene-1,2-dicarboxylic acid derivatives I ##STR1## where R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and R.sup.6 are herein defined, or the agriculturally useful salts of Ia and Ib and intermediates for their preparation, which compounds are useful as herbicides and for the desiccation/defoliation of plants.

  SubSTituted cyclohexene-1,2-dicarboxylic acid derivatives I ##STR1## 其中 R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5和R.sup.6在此定义，或Ia和Ib的农业有用盐以及其制备的中间体，这些化合物可用作除草剂和植物的脱水/落叶剂。
• 1-(3-heterocyclylphenyl)-s-triazine-2,4,6-oxo or thiortione herbicidal
  申请人：American Cyanamid Company

  公开号：US05612481A1

  公开（公告）日：1997-03-18

  There is provided a 1-(3-heterocyclylphenyl)-s-triazine-2,4,6-oxo or thiotrione compound having the structural formula I ##STR1## Further provided are a composition and a method comprising that compound for the control of undesirable plant species.

  提供一种具有结构式I的1-(3-杂环基苯基)-s-三嗪-2,4,6-氧或硫代三酮化合物。 ##STR1## 进一步提供了一种包含该化合物的组合物和方法，用于控制不良植物物种。