1,3-dimethyl-4-(2,4-dichlorobenzoyl)-5-mercaptopyrazole | 58011-37-3

• 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: 1,3-dimethyl-4-(2,4-dichlorobenzoyl)-5-mercaptopyrazole
• CAS: 58011-37-3
• 化学式: C₁₂H₁₀Cl₂N₂OS
• 分子量: 301.196
• InChiKey: RCKLJLCMSBAJDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.89
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-4-(2,4-dichlorobenzoyl)-5-mercaptopyrazole 生成 (5-acetylsulfanyl-1,3-dimethyl-1H-pyrazol-4-yl)-(2,4-dichloro-phenyl)-methanone
  参考文献：
  名称：

  KONOTSUNE, TAKUO;KAWAKUBO, KATSUHIKO

  摘要：

  DOI：
• 作为产物：
  描述：

  (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2,4-dichlorophenyl)methanone 生成 1,3-dimethyl-4-(2,4-dichlorobenzoyl)-5-mercaptopyrazole
  参考文献：
  名称：

  KONOTSUNE, TAKUO;KAWAKUBO, KATSUHIKO

  摘要：

  DOI：

文献信息

• Pyrazole sulfonates
  申请人：Sankyo Company Limited

  公开号：US04146726A1

  公开（公告）日：1979-03-27

  Herbicidal compositions containing as an active ingredient one or more of the pyrazole compounds having the formula ##STR1## (wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group, X represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group or an aliphatic acyl group and n is an integer of 1 to 4 and when n is 2, 3 or 4, X's may be the same or different), salts thereof and organic acid esters thereof, as well as new pyrazole compounds having herbicidal activities and the formula ##STR2## (wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group Z represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group, an aliphatic acyl group or benzoyl group, n is an integer of 1 to 4, when n is 2, 3 or 4, Z's may be the same or different and Y represents oxygen atom or sulfur atom); provided that those wherein R.sub.1 and R.sub.2 are methyl groups, Z is chlorine atom at 2-position, n is 1 and Y is oxygen atom and wherein R.sub.1 and R.sub.2 are methyl groups, Z is nitro group at 4-position, n is 1 and Y is oxygen atom are excluded. These pyrazole compounds are prepared in a conventional manner.

  含有一种或多种具有以下式子的吡唑化合物作为活性成分的除草剂组合物：##STR1##（其中R.sub.1代表氢原子或较低的烷基，R.sub.2代表较低的烷基或较低的烯基，X代表卤素原子，硝基，较低的烷基，卤代较低的烷基，较低的烷氧基，较低的烷基磺酰基，氰基，较低的烷硫基或脂肪族酰基，n为1到4的整数，当n为2，3或4时，X可以相同或不同），其盐和有机酸酯，以及具有除草活性和以下式子的新的吡唑化合物：##STR2##（其中R.sub.1代表氢原子或较低的烷基，R.sub.2代表较低的烷基或较低的烯基，Z代表卤素原子，硝基，较低的烷基，卤代较低的烷基，较低的烷氧基，较低的烷基磺酰基，氰基，较低的烷硫基，脂肪族酰基或苯甲酰基，n为1到4的整数，当n为2，3或4时，Z可以相同或不同，Y代表氧原子或硫原子）；但其中R.sub.1和R.sub.2为甲基基团，Z在2位为氯原子，n为1，Y为氧原子以及R.sub.1和R.sub.2为甲基基团，Z在4位为硝基，n为1，Y为氧原子的化合物除外。这些吡唑化合物以常规方式制备。
• Herbicidal compositions and pyrazole derivatives
  申请人：Sankyo Company, Ltd.

  公开号：US04414392A1

  公开（公告）日：1983-11-08

  Herbicidally active compound having the formula ##STR1## wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group, X represents a variety of substituents of the phenyl ring, and Y represents oxygen or sulfur, and the salts and organic acid esters thereof.

  具有以下式子的除草活性化合物：##STR1## 其中R.sub.1代表氢原子或低级烷基基团，R.sub.2代表低级烷基基团或低级烯基基团，X代表苯环的各种取代基，Y代表氧或硫，以及其盐和有机酸酯。
• Organic acid esters of 4-benzoyl-5-hydroxy(mercapto)pyrazoles
  申请人：Sankyo Company Limited

  公开号：US04687858A1

  公开（公告）日：1987-08-18

  An ester of a compound having the formula ##STR1## wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group, n is an integer of 1 to 4, Z represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group, an alkanoyl group having 2 to 5 carbon atoms, or benzoyl group, and when n is 2, 3, or 4, Z's may be the same or different. The esters are suitable for use in herbicidal compositions.

  一种酯化合物，其化学式为##STR1##其中，R.sub.1代表氢原子或较低的烷基基团，R.sub.2代表较低的烷基基团或较低的烯基基团，n为1到4的整数，Z代表卤素原子、硝基、较低的烷基基团、卤代较低的烷基基团、较低的烷氧基、较低的烷基磺酰基、氰基、较低的烷硫基团、具有2到5个碳原子的烷酰基团或苯甲酰基团，当n为2、3或4时，Z可以相同或不同。这些酯适用于除草剂组合物中的使用。
• Herbicidal 4-benzoyl-5-hydroxy-pyrazales
  申请人：Sankyo Company Ltd.

  公开号：US04508910A1

  公开（公告）日：1985-04-02

  Herbicidally active compound having the formula ##STR1## wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group, X represents a variety of substituents of the phenyl ring, and Y represents oxygen or sulfur, and the salts and organic acid esters thereof.

  具有以下结构式的除草活性化合物：##STR1## 其中R.sub.1代表氢原子或低碳基，R.sub.2代表低碳基或低烯基基团，X代表苯环上的不同取代基，Y代表氧或硫，以及其盐和有机酸酯。
• Herbicidal compositions
  申请人：Sankyo Company Limited

  公开号：US04063925A1

  公开（公告）日：1977-12-20

  Herbicidal compositions containing as an active ingredient one or more of the pyrazole compounds having the formula ##STR1## (wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group, X represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group or an aliphatic acyl group and n is an integer of 1 to 4 and when n is 2, 3 or 4, X's may be the same or different), salts thereof and organic acid esters thereof, as well as new pyrazole compounds having herbicidal activities and the formula ##STR2## (wherein R.sub.1 represents hydrogen atom or a lower alkyl group, R.sub.2 represents a lower alkyl group or a lower alkenyl group Z represents a halogen atom, nitro group, a lower alkyl group, a halogenated lower alkyl group, a lower alkoxy group, a lower alkanesulfonyl group, cyano group, a lower alkylthio group, an aliphatic acyl group or benzoyl group, n is an integer of 1 to 4, when n is 2,3 or 4, Z's may be the same or different and Y represents oxygen atom or sulfur atom; provided that those wherein R.sub.1 and R.sub.2 are methyl groups, Z is chlorine atom at 2-position, n is 1 and Y is oxygen atom and wherein R.sub.1 and R.sub.2 are methyl groups, Z is nitro group at 4-position, n is 1 and Y is oxygen atom are excluded. These pyrazole compounds are prepared in a conventional manner.

  除草剂组合物包含一种或多种具有以下式子的吡唑化合物作为活性成分：##STR1## （其中，R.sub.1代表氢原子或较低的烷基团，R.sub.2代表较低的烷基团或较低的烯基团，X代表卤原子、硝基、较低的烷基团、卤代较低的烷基团、较低的烷氧基、较低的烷基磺酰基、氰基、较低的烷基硫基或脂肪族酰基，n为1到4的整数，当n为2、3或4时，X可以相同或不同），其盐和有机酸酯，以及具有除草活性的新的吡唑化合物，其式子为##STR2## （其中，R.sub.1代表氢原子或较低的烷基团，R.sub.2代表较低的烷基团或较低的烯基团，Z代表卤原子、硝基、较低的烷基团、卤代较低的烷基团、较低的烷氧基、较低的烷基磺酰基、氰基、较低的烷基硫基、脂肪族酰基或苯甲酰基，n为1到4的整数，当n为2、3或4时，Z可以相同或不同，Y代表氧原子或硫原子；但其中R.sub.1和R.sub.2为甲基基团，Z为2-位氯原子，n为1，Y为氧原子以及R.sub.1和R.sub.2为甲基基团，Z为4-位硝基，n为1，Y为氧原子的化合物被排除。这些吡唑化合物可按常规方法制备。