7-bromo-2-isopropyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazol-3-ylideneamine | 1197362-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 7-bromo-2-isopropyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazol-3-ylideneamine
• 英文别名: 7-Bromo-2-isopropyl-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-ylideneamine；7-bromo-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-imine
• CAS: 1197362-68-7
• 化学式: C₁₀H₁₁BrN₂O₂S
• 分子量: 303.18
• InChiKey: ZRQMTHYWLCMUJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-3-溴苯腈 在 盐酸 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 19.5h， 生成 7-bromo-2-isopropyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazol-3-ylideneamine
  参考文献：
  名称：

  [EN] 3-AMINO-BENZO [D] ISOTHIAZOLE DIOXIDE DERIVATIVES AND THEIR USE AS PESTICIDES
  [FR] DÉRIVÉS DE DIOXYDE DE 3-AMINO-BENZO [D] ISOTHIAZOLE ET LEUR UTILISATION EN TANT QUE PESTICIDES

  摘要：

  化合物的化学式（I）或化学式（II），其中W是C-R3；X是C-R4；Y是C-R5；R1和R6，彼此独立，例如是H，C1-C6-烷基，C2-C6-烯基，C2-C6-炔基，C3-C8-环烷基或C1-C6-烷基-C(=O)；R2是H；R3、R4和R5，彼此独立，例如是H，卤素，氰基，硝基，C1-C6-烷基或C1-C6-卤代烷基；但在化学式II中R1是H且R6如上所定义；在化学式I中（a）至少有一个R1和R3到R6不是氢，（b）当R1到R6的其余五个基团都是氢时，R3或R4不是氯，（c）（i）R3不是甲基，（ii）R4不是氯，（iii）R5不是氯，（iv）当R5是甲氧基时，R3不是氯，在每种情况下（i）到（iv）中，R1是H，R6是MeC(=0)，剩余的基团从R2到R5是氢；和/或其盐；以及它们作为杀虫剂的用途。

  公开号：

  WO2009141305A1

文献信息

• 3-AMINO-BENZO [D] ISOTHIAZOLE DIOXIDE DERIVATIVES AND THEIR USE AS PESTICIDES
  申请人：Zambach Werner

  公开号：US20110071200A1

  公开（公告）日：2011-03-24

  A compound of Formula (I) or Formula (II) where W is C—R 3 ; X is C—R 4 ; Y is C—R 5 ; R 1 and R 6 , independently of each other, is, for example, H, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl or C1-C6-alkyl-C(═O); R2 is H; and R 3 , R 4 and R 5 , independently of each other, are, for example, H, halogen, cyano, nitro, C1-C6-alkyl, or C1-C6-haloalkyl; provided that in formula II R1 is H and R6 is as defined above; and in formula I that (a) at least one of R1 and R3 to R6 is other than hydrogen, (b) R 3 or R 4 is other than C1 when in each instance the remaining five groups of R 1 to R 6 are hydrogen, and (c) (i) R 3 is other than methyl, (ii) R 4 is other than C1, (iii) R 5 is other than C1 and (iv) R 3 is not C1 when R 5 is methoxy, when in each instance (i) to (iv) R 1 is H, R 6 is MeC(═O), and remaining groups of R 2 to R 5 are hydrogen; and/or salts thereof; and their use as as pesticidal agents.

  化合物的公式(I)或公式(II)，其中W为C—R3; X为C—R4; Y为C—R5; R1和R6，分别独立地为H、C1-C6烷基、C2-C6烯基、C2-C6炔基、C3-C8环烷基或C1-C6烷基-C(═O)；R2为H；而R3、R4和R5，分别独立地为H、卤素、氰基、硝基、C1-C6烷基或C1-C6卤代烷基；但在公式(II)中，R1为H且R6如上所定义；在公式(I)中，(a)至少有一个R1和R3至R6不是氢，(b)当在每个实例中其余的五个R1至R6都是氢时，R3或R4不是C1，(c) (i) R3不是甲基，(ii) R4不是C1，(iii) R5不是C1且(iv) 当R5是甲氧基时，R3不是C1，当在每个实例中(i)至(iv) R1为H，R6为MeC(═O)，而R2至R5的其余基团为氢时；和/或其盐；以及它们作为杀虫剂的用途。
• 3-amino-benzo [D] isothiazole dioxide derivatives and their use as pesticides
  申请人：Zambach Werner

  公开号：US08563744B2

  公开（公告）日：2013-10-22

  A compound of Formula (I) or Formula (II) where W is C—R3; X is C—R4; Y is C—R5; R1 and R6, independently of each other, is, for example, H, C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, C3-C8-cycloalkyl or C1-C6-alkyl-C(═O); R2 is H; and R3, R4 and R5, independently of each other, are, for example, H, halogen, cyano, nitro, C1-C6-alkyl, or C1-C6-haloalkyl; provided that in formula II R1 is H and R6 is as defined above; and in formula I that (a) at least one of R1 and R3 to R6 is other than hydrogen, (b) R3 or R4 is other than C1 when in each instance the remaining five groups of R1 to R6 are hydrogen, and (c) (i) R3 is other than methyl, (ii) R4 is other than C1, (iii) R5 is other than C1 and (iv) R3 is not C1 when R5 is methoxy, when in each instance (i) to (iv) R1 is H, R6 is MeC(═O), and remaining groups of R2 to R5 are hydrogen; and/or salts thereof; and their use as as pesticidal agents.

  公式(I)或公式(II)的化合物，其中W为C-R3；X为C-R4；Y为C-R5；R1和R6独立地为H、C1-C6烷基、C2-C6烯基、C2-C6炔基、C3-C8环烷基或C1-C6烷基-C(═O)等；R2为H；而R3、R4和R5独立地为H、卤素、氰基、硝基、C1-C6烷基或C1-C6卤代烷基等；但在公式(II)中，R1为H且R6如上所定义；在公式(I)中，(a)至少有一个R1和R3至R6不为氢，(b)当在每个实例中剩余的五个R1至R6为氢时，R3或R4不为C1，(c)(i)R3不为甲基，(ii)R4不为C1，(iii)R5不为C1且(iv)当R5为甲氧基时，R3不为C1，当在每个实例中(i)到(iv)R1为H，R6为MeC(═O)，R2至R5的剩余基团为氢时；和/或其盐；以及它们作为杀虫剂的用途。
• 3-AMINO-BENZO [D]ISOTHIAZOLE DIOXIDE DERIVATIVES AND THEIR USE AS PESTICIDES
  申请人：Syngenta Participations AG

  公开号：EP2294059A1

  公开（公告）日：2011-03-16
• US8563744B2
  申请人：——

  公开号：US8563744B2

  公开（公告）日：2013-10-22