4-(4-溴-2,6-二甲基苯基)-3-氨基硫脲 | 122813-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-溴-2,6-二甲基苯基)-3-氨基硫脲
• 英文名称: 1-amino-3-(4-bromo-2,6-dimethylphenyl)thiourea
• 英文别名: 4-(4-bromo-2,6-dimethylphenyl)-3-thiosemicarbazide；N-(4-Bromo-2,6-dimethylphenyl)hydrazinecarbothioamide
• CAS: 122813-72-3
• 化学式: C₉H₁₂BrN₃S
• 分子量: 274.184
• InChiKey: DILNFZLORSLUJR-UHFFFAOYSA-N

物化性质

• 熔点：
  181-183°C (dec.)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  4-(4-溴-2,6-二甲基苯基)-3-氨基硫脲 、 4-氯乙酰乙酸乙酯 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 苯 为溶剂， 生成 3-[(4-Bromo-2,6-dimethylphenyl)amino]-5-methyl-1H-pyrazole-4-carboxylic acid, ethyl ester
  参考文献：
  名称：

  3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as

  摘要：

  一种通过给予以下式化合物来控制癫痫、肌肉紧张、肌肉痉挛和焦虑的新方法，其中：##STR1## 其中：R.sup.1 为氢、较低的烷基或药学上可接受的阳离子；R.sup.2 和 R.sup.3，相同或不同，为氢、较低的烷基、芳基、环烷基、较低的烯基、1-金刚烷基、杂环氨基烷基、二较低烷基氨基较低烷基，或 R.sup.2 与 R.sup.3 和相邻的氮原子可能形成杂环环结构；以及其药学上可接受的酸盐和互变异构体；以及相关的新型药物组合物。

  公开号：

  US04826866A1

文献信息

• [EN] PESTICIDE COMPOUNDS<br/>[FR] COMPOSÉS PESTICIDES
  申请人：BASF SE

  公开号：WO2015007682A1

  公开（公告）日：2015-01-22

  The present invention relates to novel compounds of the formula I and the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof wherein C1 is C or CH; C2 is C or CH; A1 is N or C; A2 is N, C(R2), N(R3), O, S or C(R4,R5); and A3 is N, O, S, N(R6), C(R7) or C(R8,R9); where one or two non-adjacent bonds in the 5-membered ring formed by C1, C2, A1, A2 and A3 are double bonds, while the others are single bonds, provided that the bond between A1 and A2 or the bond between A1 and C1 or the bond between A2 and A3 or the bond between C1 and C2 or the bond between A3 and C2 is a double bond further provided that at least one of A1, A2 and A3 is N, N(R3) or N(R6), and where Ar, R1, R2, R3, R4,R5, R6, R7, R8, R9 and (R)k are as defined in the claims and in the description, which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及公式I的新化合物及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐，其中C1为C或CH；C2为C或CH；A1为N或C；A2为N、C(R2)、N(R3)、O、S或C(R4,R5)；A3为N、O、S、N(R6)、C(R7)或C(R8,R9)；其中由C1、C2、A1、A2和A3形成的5元环中的一个或两个非相邻键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N(R3)或N(R6)，其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和(R)k的定义如权利要求和说明书中所述，用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。
• 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as
  申请人：A. H. Robins Company, Incorporated

  公开号：US04871737A1

  公开（公告）日：1989-10-03

  A novel method of controlling epilepsy, muscle tension, muscular spasticity, and anxiety in living animal bodies by administering compounds of the formula: ##STR1## wherein: R.sup.1 is hydrogen, loweralkyl or a pharmaceutically acceptable cation; R.sup.2 and R.sup.3, same or different, are hydrogen, loweralkyl, aryl, cycloalkyl, loweralkenyl, 1-adamantyl, heterocyclicaminoalkyl, diloweralkylaminoloweralkyl, or R.sup.2 with R.sup.3 and adjacent nitrogen may form a heterocyclic ring structure; and the pharmaceutical acceptable acid salts, and tautomeric isomers thereof; and novel pharmaceutical compositions therefor are disclosed.

  本发明涉及一种通过给活体动物体内注射化合物的方法来控制癫痫、肌肉紧张、肌肉痉挛和焦虑，所述化合物的结构式为：##STR1## 其中：R1为氢、低碳基或药学上可接受的阳离子；R2和R3相同或不同，为氢、低碳基、芳基、环烷基、低碳烯基、1-金刚烷基、杂环氨基烷基、二低碳基氨基低碳基，或R2与R3及相邻的氮原子可形成杂环环状结构；以及其药学上可接受的酸盐和互变异构体；以及新型的药物组合物。
• Pesticide Compounds
  申请人：BASF SE

  公开号：US20160157491A1

  公开（公告）日：2016-06-09

  The present invention relates to novel compounds of the formula I and the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof wherein C 1 is C or CH; C 2 is C or CH; A 1 is N or C; A 2 is N, C(R 2 ), N(R 3 ), O, S or C(R 4 ,R 5 ); and A 3 is N, O, S, N(R 6 ), C(R 7 ) or C(R 8 ,R 9 ); where one or two non-adjacent bonds in the 5-membered ring formed by C 1 , C 2 , A 1 , A 2 and A 3 are double bonds, while the others are single bonds, provided that the bond between A 1 and A 2 or the bond between A 1 and C 1 or the bond between A 2 and A 3 or the bond between C 1 and C 2 or the bond between A 3 and C 2 is a double bond further provided that at least one of A 1 , A 2 and A 3 is N, N(R 3 ) or N(R 6 ), and where Ar, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and (R) k are as defined in the claims and in the description, which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及式I及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐的新化合物，其中C1为C或CH; C2为C或CH; A1为N或C; A2为N、C（R2）、N（R3）、O、S或C（R4，R5）; A3为N、O、S、N（R6）、C（R7）或C（R8，R9）; 在由C1、C2、A1、A2和A3形成的5元环中，一个或两个非相邻的键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N（R3）或N（R6），其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和（R）k如权利要求和说明书中所定义，该化合物对于防治或控制无脊椎动物害虫，特别是节肢动物害虫和线虫有用。本发明还涉及使用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。
• 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics
  申请人：A.H. ROBINS COMPANY, INCORPORATED

  公开号：EP0315433A2

  公开（公告）日：1989-05-10

  Pharmaceutical compositions which comprise a compound represented by the formula where R¹ represents a hydrogen atom, a lower alkyl group or a pharmaceutically acceptable cation; R² and R³ independently represent a hydrogen atom, a lower alkyl group, an aryl group, a cycloalkyl group, a lower alkenyl group, a 1-adamantyl group, a hetero­cyclicaminoalkyl group, a diloweralkylaminoloweralkyl group, or R² together with R³ and the adjacent nitrogen atom may form a heterocyclic ring structure; and/or a pharmaceutically acceptable acid salt thereof; the use of such compounds in medicine; and the use of such compounds in the preparation of anticonvul­sant agents, muscle relaxants and anxiolytic agents, are disclosed.

  药物组合物，其中包含由式表示的化合物 其中 R¹ 代表氢原子、低级烷基或药学上可接受的阳离子； R²和R³各自代表氢原子、低级烷基、芳基、环烷基、低级烯基、1-金刚烷基、杂环氨基烷基、稀释烷基氨基低级烷基，或R²与R³及相邻氮原子可形成杂环环结构； 和/或其药学上可接受的酸盐；公开了此类化合物在医药中的用途；以及此类化合物在制备抗惊厥剂、肌肉松弛剂和抗焦虑剂中的用途。
• PESTICIDE COMPOUNDS
  申请人：BASF SE

  公开号：EP3022185A1

  公开（公告）日：2016-05-25