1H-异吲哚-1,3(2H)-二酮,3a,4,7,7a-四氢-2-[(三氯甲基)硫代]-,顺- | 14599-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 1H-异吲哚-1,3(2H)-二酮,3a,4,7,7a-四氢-2-[(三氯甲基)硫代]-,顺-
• 英文名称: captan
• 英文别名: (3aR,7aS)-2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione；orthocide；1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide；(3aS,7aR)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
• CAS: 14599-59-8
• 化学式: C₉H₈Cl₃NO₂S
• 分子量: 300.593
• InChiKey: LDVVMCZRFWMZSG-OLQVQODUSA-N

物化性质

• 沸点：
  314.2±52.0 °C(Predicted)
• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  L-半胱氨酸 、 1H-异吲哚-1,3(2H)-二酮,3a,4,7,7a-四氢-2-[(三氯甲基)硫代]-,顺- 在 水 作用下， 生成 (4R)-(-)-2-硫酮基-4-噻唑烷羧酸
  参考文献：
  名称：

  2-Thiazolidinethione-4-Carboxylic Acid from the Reaction of Captan with Cysteine

  摘要：

  DOI：

  10.1126/science.127.3299.650
• 作为产物：
  描述：

  三氯硫氯甲烷 、 四氢酞酰亚胺 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 以88.78%的产率得到1H-异吲哚-1,3(2H)-二酮,3a,4,7,7a-四氢-2-[(三氯甲基)硫代]-,顺-
  参考文献：
  名称：

  [EN] A FUNGICIDAL COMPOUND AND PROCESS OF PREPARATION THEREOF
  [FR] COMPOSÉ FONGICIDE ET SON PROCÉDÉ DE PRÉPARATION

  摘要：

  本发明涉及一种具有化学式（I）的杀真菌的磺酰基邻苯二甲酰亚胺化合物和化学式（II）的化合物，其中所述的化学式（I）和化学式（II）的化合物基本上不含有不需要的杂质。特别是本发明涉及一种制备化学式（I）和（II）的化合物的方法，其基本上不含有不需要的杂质。

  公开号：

  WO2021220296A1

文献信息

• Parasiticidal compounds containing the nsccll3 group
  申请人：STANDARD OIL DEV CO

  公开号：US02553770A1

  公开（公告）日：1951-05-22

  N-Trichlorothioimides (containing the group are prepared by reaction of an imide or a metal salt thereof with perchloromethyl mercaptan. The preferred products are where R is aliphatic, including alicyclic, or aromatic; R may be, for example, tetramethylene. In the examples, perchloromethyl mercaptan (ClS.CCl2) is treated with (1) the sodium salt of tetrahydrophthalimide; (2) sodium phthalimide; (3) sodium succinimide; and (4) sodium endomethylenetetrahydrophthalimide to give the respective trichlorothioimides. The product of example (1), N-trichloromethylthiotetrahydrophthalimide, is treated with chlorine in carbon tetrachloride.

  通过将酰亚胺或其金属盐与過氯甲基硫醇反应，可以制备含有基团的N-三氯硫代亚胺。首选产品是，其中R是脂肪族，包括脂环族或芳香族；例如，R可以是四亚甲基。在示例中，将過氯甲基硫醇（ClS.CCl2）分别与（1）四氢酞酰亚胺钠盐；（2）酞酰亚胺钠盐；（3）琥珀酰亚胺钠盐；和（4）内甲基四氢酞酰亚胺钠盐反应，以得到相应的三氯硫代亚胺。示例（1）的产物N-三氯甲基硫代四氢酞酰亚胺在四氯化碳中经氯化处理。

• Manufacture of n-trichloromethylthioimides
  申请人：STANDARD OIL DEV CO

  公开号：US02553776A1

  公开（公告）日：1951-05-22

  N-Trichlorothioimides (containing the group <;FORM:0666636/IV (b)/1>; are prepared by reaction of an imide or a metal salt thereof with perchloromethyl mercaptan. The preferred products are <;FORM:0666636/IV (b)/2>; where R is aliphatic, including alicyclic, or aromatic; R may be, for example, tetramethylene. In the examples, perchloromethyl mercaptan (ClS.CCl2) is treated with (1) the sodium salt of tetrahydrophthalimide; (2) sodium phthalimide; (3) sodium succinimide; and (4) sodium endomethylenetetrahydrophthalimide to give the respective trichlorothioimides. The product of example (1), N-trichloromethylthiotetrahydrophthalimide, is treated with chlorine in carbon tetrachloride.

  N-三氯硫代咪唑（含有<;FORM:0666636/IV（b）/1>;基团）是通过咪唑酰亚胺或其金属盐与过氯甲基硫醇反应制备的。首选产品是<;FORM:0666636/IV（b）/2>;，其中R是脂肪族，包括脂环族或芳香族；例如，R可以是四亚甲基。在示例中，过氯甲基硫醇（ClS.CCl2）与（1）四氢酞酰亚胺钠盐；（2）酞酰亚胺钠盐；（3）琥珀酰亚胺钠盐；和（4）内甲基四氢酞酰亚胺钠盐反应，分别得到相应的三氯硫代咪唑。示例（1）的产物N-三氯甲基硫代四氢酞酰亚胺在四氯化碳中与氯反应。

• Synergistic herbicidal compositions and method for controlling undesirable vegetation
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0015453A2

  公开（公告）日：1980-09-17

  Synergistic herbicidal activity is displayed by compositions comprising the following two components: (a) a pyrrolidone of the formula in which: X is selected from the group consisting of hydrogen, chlorine, and methyl; Y is selected from the group consisting of hydrogen, chlorine and bromine; Z is selected from the group consisting of chlorine and bromine; R' is selected from the group consisting of hydrogen and Ci-C4 alkyl; R2 is selected from the group consisting of hydrogen, halogen, C1-C4 alkyl, acetyl, trifluoromethyl, nitro, cyano, C1-C4 alkoxy, C1-C4 alkylthio, C1-C4 alkylsulfinyl, C1-C4 alkylsulfonyl, trifluoromethylsulfinyl, trifluoromethylsulfonyl, penta- fluoropropionamido, and 3-methylureido; and R3 is selected from the group consisting of hydrogen, C1-C4 alkyl, chlorine and trifluoromethyl; and (b) a phosphonic acid of the formula in which: R4 is selected from the group consisting of C1-C4 alkyl, C1-C4 haloalkyl, and -CH2NHCH2COOH, at a weight ratio of (a) to (b) of from about 0.1:1 to about 20:1.

  由以下两种成分组成的组合物具有协同除草活性： (a) 式中的吡咯烷酮 其中 X 选自由氢、氯和甲基组成的组； Y 选自由氢、氯和溴组成的组 Z 选自氯和溴组成的组； R' 选自由氢和 Ci-C4 烷基组成的组； R2 选自由氢、卤素、C1-C4 烷基、乙酰基、三氟甲基、硝基、氰基、C1-C4 烷氧基、C1-C4 烷硫基、C1-C4 烷基亚磺酰基、C1-C4 烷基磺酰基、三氟甲基亚磺酰基、三氟甲基磺酰基、五氟丙酰氨基和 3-甲基脲基组成的组；以及 R3 选自氢、C1-C4 烷基、氯和三氟甲基组成的组； 和 (b) 式中的膦酸 其中 R4选自由C1-C4烷基、C1-C4卤代烷基和-CH2NHCH2COOH组成的组，(a)与(b)的重量比约为0.1:1至约20:1。
• Impregnated porous granules with slow-release pore membranes, and process for the manufacture thereof
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0005302A2

  公开（公告）日：1979-11-14

  Open-ended pores of a porous granule are filled with a liquid material which is at least partially immiscible with water, and sealed with a porous polyurea membrane which limits the release rate of the material into the surrounding medium. The membrane is formed by (a) applying to the bare granule an organic solution comprising the liquid material and an organic polyisocyanate, followed by (b) applying to the granule an aqueous solution comprising water and a catalytic amount of a catalyst selected from the group consisting of a basic organic tertiary amine and an alkyl tin carboxylate.

  在多孔颗粒的开口孔中填充至少部分与水不相溶的液态材料，并用多孔聚脲膜密封，以限制材料释放到周围介质中的速度。聚脲膜的形成过程如下 (a) 在裸颗粒上涂抹由液态材料和有机多异氰酸酯组成的有机溶液，然后 (b) 对颗粒施加水溶液，该水溶液由水和一定量的催化剂组成，催化剂选自碱性有机叔胺和烷基羧酸锡。
• Amine salts of substituted N-phosphonomethylureas, process for production thereof, compositions containing them and their use as plant growth regulators
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0014555A1

  公开（公告）日：1980-08-20

  Nolvel amine salts of substituted phosphonomethylureas having the formula in which R,R' and R" are independently C1-C4 alkyl; a is 1 or2 and b is2 or3, such thatthe sum of a and b is4; and c is 1 or 2 and d is 0 or 1, such that the sum of c and d is 2. These compounds are useful in regulating the natural growth or development of plants. They may be prepared by reacting the appropriate amine ReNHtb, where b' is 1 or2, with an appropriate phosphonic acid. A rate of application of 0.11 to 22 kg/ ha is suitable. For application the compounds may be formulated with an inert carrier or diluent A preferred compound is the mono(diisopropylamine) salt of N,N-dimethyl- N-carboethoxymethyl-N'-phosphonomethylurea.

  取代的膦酰甲基脲的酚胺盐，其式如下 其中 R、R'和 R "独立地为 C1-C4 烷基； a 是 1 或 2，b 是 2 或 3，这样 a 和 b 的总和是 4；以及 c 是 1 或 2，d 是 0 或 1，这样 c 和 d 的总和是 2。 这些化合物可用于调节植物的自然生长或发育。它们可以通过适当的胺 ReNHtb（其中 b' 为 1 或 2）与适当的膦酸反应来制备。适宜的施用量为 0.11 至 22 千克/公顷。优选的化合物是 N,N-二甲基-N-羧乙氧基甲基-N'-膦酰甲基脲的单异丙基胺盐。