1-(2-carbomethoxybenzoyl)-2-methyl-4-phenyl-3-thiosemicarbazide | 74673-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-carbomethoxybenzoyl)-2-methyl-4-phenyl-3-thiosemicarbazide
• 英文别名: methyl 2-[[methyl(phenylcarbamothioyl)amino]carbamoyl]benzoate
• CAS: 74673-42-0
• 化学式: C₁₇H₁₇N₃O₃S
• 分子量: 343.406
• InChiKey: PCWYQDWBLWIBBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-carbomethoxybenzoyl)-2-methyl-4-phenyl-3-thiosemicarbazide 生成 N-Methyl-N-(phenylthiocarbamoyl)-2-amino-1H-isoindole-1,3-(2H)-dione
  参考文献：
  名称：

  KIRKPATRICK, J. L.

  摘要：

  DOI：
• 作为产物：
  描述：

  1-氨基-1-甲基-3-苯基硫脲 、 2-(氯羰基)苯甲酸甲酯 生成 1-(2-carbomethoxybenzoyl)-2-methyl-4-phenyl-3-thiosemicarbazide
  参考文献：
  名称：

  KIRKPATRICK, J. L.

  摘要：

  DOI：

文献信息

• Substituted thiosemicarbazides, their manufacture and use as plant
  申请人：Gulf Oil Corporation

  公开号：US04282031A1

  公开（公告）日：1981-08-04

  The present invention is directed to a class of novel 1-benzoyl-3-thiosemicarbazides which are useful as plant growth regulants. The present invention is also directed to methods and formulations for plant growth regulation.

  本发明涉及一类新型的1-苯甲酰-3-硫腙半胱氨酸衍生物，其可用作植物生长调节剂。本发明还涉及用于植物生长调节的方法和配方。
• N-(Arylthiocarbamoyl)-2-amino-1H-isoindole-1,3-(2H)diones, processes for their preparation and their use as plant growth regulators
  申请人：Gulf Oil Corporation

  公开号：EP0016571A1

  公开（公告）日：1980-10-01

  A novel class of N-(arylthiocarbamoyl)-2- amino-1H-isoindole-1,3-(2H) diones which are useful as plant growth regulators have the general structural formula: in which R1 is; C1 to C4 alkyl, nitro or halo and n is zero or an integer from 1 to 4 R2 and R3 are; H or C to C. alkyl, or benzyl and Ar is; adamantyl, C3 to C4 alkyl or alkenyl, benzyl, halobenzyl, naphthyl, phenyl or phenyl bearing thereon from one to three of the substituents: cyano, benzyloxy, nitro, bromo, chloro, trifluoromethyl and C1 to C4 alkyl, alkenyl, alkoxy, alkylthio and alkyl-substituted amino.

  一类可用作植物生长调节剂的新型 N-(芳基硫代氨基甲酰基)-2-氨基-1H-异吲哚-1,3-(2H)二酮的结构通式为 其中 R1 为 C1 至 C4 烷基、硝基或卤代，n 为零或 1 至 4 的整数 R2 和 R3 是 H 或 C 至 C.烷基或苄基，以及 Ar是金刚烷基、C3至C4烷基或烯基、苄基、卤代苄基、萘基、苯基或带有一至三个取代基的苯基：氰基、苄氧基、硝基、溴基、氯基、三氟甲基和C1至C4烷基、烯基、烷氧基、烷硫基和烷基取代的氨基。
• Substituted 1-benzoyl-3-thiosemicarbazides, their manufacture and use as plant growth regulants, and agricultural formulations comprising them
  申请人：Gulf Oil Corporation

  公开号：EP0009324A1

  公开（公告）日：1980-04-02

  1-Benzoyl-3-thiosemicarbazides of formula I: wherein R' is -OH, -NR'R", C1-C4 alkyl or hydrogen; Q is hydrogen, C1-C4 alkyl or C3-C6 cycloalkyl; each of R' and R" independently is hydrogen, C1-C10 alkyl, C3-C7 alkoxyalkyl or alkoxyalkoxyalkyl, C3-C6 cycloalkyl, phenyl C1-C2 alkyl where the phenyl group is optionally substituted by halo or C1-C4 alkoxy; or R' and R" taken together with the nitrogen atom to which they are attached form a heterocyclic ring containing from 5 to 7 ring atoms; each R2 independently is halogen, C1-C4 alkyl, C1-C4 alkoxy, nitro or trifluoromethyl; m is 0, 1 or 2; R3 is hydrogen, C1-C4 alkyl, C3-C4 alkenyl containing no α,β unsaturation, C1-C4 hydroxyalkyl, phenyl or benzyl; R4 is hydrogen or C1-C4 alkyl; Ar is naphthyl, anthranyl, phenanthryl or a group having one of the following formulae: each R5 independently is C1-C4 alkyl, halo, nitro, C1-C4 alkoxy or C1-C4 alkylthio, provided that both ortho positions are not substituted by alkyl; R6 is C1-C4 carbalkoxy, phenoxy, benzyloxy, phenyl, amino, C1-C4 alkylamino or di (C1-C4) alkylamino; n is 0, 1, 2 or 3; q is 0 or 1; the sum of n plus q does not exceed 3; and p is 0 or 1; and agriculturally-acceptable salts and esters thereof, are useful in plant growth regulation. The preparation of these novel compounds is described.

  式 I 的 1-苯甲酰基-3-硫代氨基脲： 其中 R'是-OH、-NR'R"、C1-C4 烷基或氢； Q 是氢、C1-C4 烷基或 C3-C6 环烷基； R'和 R "各自独立地为氢、C1-C10 烷基、C3-C7 烷氧基烷基或烷氧基烷基、C3-C6 环烷基、苯基 C1-C2 烷基（其中苯基可选择被卤素或 C1-C4 烷氧基取代）；或 R'和 R "与它们所连接的氮原子一起形成含有 5 至 7 个环原子的杂环； 每个 R2 独立地为卤素、C1-C4 烷基、C1-C4 烷氧基、硝基或三氟甲基； m为0、1或2； R3 是氢、C1-C4 烷基、不含 α、β 不饱和的 C3-C4 烯基、C1-C4 羟基烷基、苯基或苄基； R4 是氢或 C1-C4 烷基； Ar 是萘基、蒽基、菲基或具有下式之一的基团： 每个 R5 独立地为 C1-C4 烷基、卤代、硝基、C1-C4 烷氧基或 C1-C4 烷硫基，条件是两个正交位置均未被烷基取代； R6 是 C1-C4 碳烷氧基、苯氧基、苄氧基、苯基、氨基、C1-C4 烷基氨基或二 (C1-C4) 烷基氨基； n 是 0、1、2 或 3； q 为 0 或 1； n 加 q 之和不超过 3；p 为 0 或 1；以及其农业上可接受的盐和酯，可用于植物生长调节。本文介绍了这些新型化合物的制备方法。
• Phenyliminothiadiazolines, a method for manufacturing them and their application for regulating growth of plants
  申请人：Gulf Oil Corporation

  公开号：EP0023766A1

  公开（公告）日：1981-02-11

  A method of regulating the growth of plants, including combating unwanted vegetation, comprises applying to the plants, either on seed, the soil or directly on the plants an effective amount of a novel compound of the class having the general structural formula in which R' is H, or one to four substituents selected from C1, nitro, lower alkyl and lower alkoxy, R2 is H, lower alkyl, lower alkoxyalkyl, lower alkenyl, lower haloalkyl or agriculturally acceptable cation, R3 is H, lower alkyl, lower alkenyl, lower alkynyl, lower haloalkyl or benzyl and R4 is H or at least one substituent selected from 3,4-trimethylene, F, CI, Br, CF3, nitro, lower dialkylamino, lower alkylcarbonyl, lower alkyl and lower alkoxy with the further provision that at least one ortho position is unsubstituted.

  一种调节植物生长，包括防治有害植被的方法，包括向植物的种子、土壤或直接施用有效量的新型化合物，该化合物的结构式如下 其中 R' 是 H，或一至四个选自以下的取代基 C1、硝基、低级烷基和低级烷氧基、 R2 是 H、低级烷基、低级烷氧基烷基、低级烯基、低级卤代烷基或农业上可接受的阳离子、 R3 是 H、低级烷基、低级烯基、低级炔基、低级卤代烷基或苄基，以及 R4 是 H 或至少一个选自 3,4-三亚甲基、F、CI、Br、CF3、硝基、低级二烷基氨基、低级烷基羰基、低级烷基和低级烷氧基的取代基，但至少有一个正交位是未取代的。
• A polyheterocyclic compound, its preparation and a smoking composition in which it is used
  申请人：PHILIP MORRIS INCORPORATED

  公开号：EP0021663A1

  公开（公告）日：1981-01-07

  he invention provides a smoking composition containing a flavourant additive comprising a polyheterocyclic compound corresponding to the formula: wherein R is hydrogen or an alkyl group X is a pyrazyl or alkyl-substituted pyrazyl ring containing a total of 4 to 16 carbon atoms, X' is a pyrazyl, alkyl-substituted pyrazyl, pyridyl or alkyl-substituted pyridyl ring containing a total of 4 to 22 carbon atoms; each alkyl group or substituent having 1 to 10 carbon atoms, and any adjacent R and X or any adjacent R and X1when taken together with connecting elements form an alicyclic structure. The preferred flavourants are novel compounds having the formula wherein R'and R2 are hydrogen or methyl orethyl groups and Y is a pyrazine or pyridine radical corresDondina to the structures: and any adjacent R1 and R2when taken together with connecting elements form an alicyclic structure. Under smoking conditions such polyheterocyclic compounds flavour mainstream and sidestream smoke. Additionally such compounds will flavour foodstuffs when incorporated therein orwhen the foodstuff, for example meat, is contacted with gases produced by combustion of a material containing the compounds. The polyheterocyclic compounds will also enhance the aroma of burning combustible articles such as candles or solid fuel.

  本发明提供了一种含香料添加剂的烟用组合物，该香料添加剂由与式相应的多杂环化合物组成： 其中 R 是氢或烷基 X 是吡嗪基或烷基取代的吡嗪基环，共含有 4 至 16 个碳原子，X'是吡嗪基、烷基取代的吡嗪基、吡啶基或烷基取代的吡啶基环，共含有 4 至 22 个碳原子；每个烷基或取代基具有 1 至 10 个碳原子，任何相邻的 R 和 X 或任何相邻的 R 和 X1 与连接元素一起形成脂环结构。首选的调味剂是具有以下式子的新型化合物 其中，R'和 R2 是氢或甲基奥氏基，Y 是吡嗪或吡啶基，与上述结构相关： 任何相邻的 R1 和 R2 与连接元素一起形成脂环结构。在吸烟条件下，此类多杂环化合物可为主流和侧流烟雾增添风味。此外，当食品中含有此类化合物时，或当食品（如肉类）与含有此类化合物的材料燃烧产生的气体接触时，此类化合物也会为食品增添风味。多环化合物还能增强蜡烛或固体燃料等可燃物品燃烧时的香味。