2-bromo-N-ethyl-4,5,6,7-tetrahydrobenzo[B]thiophene-3carboxamide | 150108-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-bromo-N-ethyl-4,5,6,7-tetrahydrobenzo[B]thiophene-3carboxamide
• 英文别名: 2-bromo-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS: 150108-68-2
• 化学式: C₁₁H₁₄BrNOS
• 分子量: 288.208
• InChiKey: NMACGNGZMFDZIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Fungicides for the control of take-all disease of plants
  申请人：Monsanto Company

  公开号：US20010046975A1

  公开（公告）日：2001-11-29

  A method of controlling Take-all disease of plants by applying, preferably to the seed prior to planting, a fungicide of the formula 1 wherein Z 1 and Z 2 are C or N and are part of an aromatic ring selected from benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole, and isothiazole; A is selected from —C(X)-amine, —C(O)—SR 3 , —NH—C(X)R 4 , and —C(═NR )—XR 7 ; B is —W m —Q(R 2 ) 3 or selected from o-tolyl, 1-naphthyl, 2-naphthyl, and 9-phenanthryl, each optionally substituted with halogen or R 4 ; Q is C, Si, Ge, or Sn; W is —C(R 3 ) p H (2-p) —; or when Q is C, W is selected from —C(R 3 ) p H (2-p) —, —N(R 3 ) m H (1-m) —, —S(O) p —, and —O—; X is O or S; n is 0, 1, 2, or 3; m is 0 or 1; p is 0, 1, or 2; each R is independently selected from a) halo, formyl, cyano, amino, nitro, thiocyanato, isothiocyanato, trimethylsilyl, and hydroxy; b) C1-C4 alkyl, alkenyl, alkynyl, C3-C6 cycloalkyl, and cycloalkenyl, each optionally substituted with halo, hydroxy, thio, amino, nitro, cyano, formyl, phenyl, C1-C4 alkoxy, alkylcarbonyl, alkylthio, alkylamino, dialkylamino, alkoxycarbonyl, (alkylthio)carbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylsulfinyl, or alkylsulfonyl; c) phenyl, furyl, thienyl, pyrrolyl, each optionally substituted with halo, formyl, cyano, amino, nitro, C1-C4 alkyl, alkenyl, alkynyl, alkoxy, alkylthio, alkylamino, dialkylamino, haloalkyl, and haloalkenyl; d) C1-C4 alkoxy, alkenoxy, alkynoxy, C3-C6 cycloalkyloxy, cycloalkenyloxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylcarbonyl, alkylcarbonyloxy, alkoxycarbonyl, (alkylthio)carbonyl, phenylcarbonylamino, phenylamino, each optionally substituted with halo; wherein two R groups may be combined to form a fused ring; each R 2 is independently selected from alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl and phenyl, each optionally substituted with R 4 or halogen; and wherein, when Q is C, R 2 may also be selected from halo, alkoxy, alkylthio, alkylamino, and dialkylamino; wherein two R 2 groups may be combined to form a cyclo group with Q; R 3 is C1-C4 alkyl; R 4 is C1-C4 alkyl, haloalkyl, alkoxy, alkylthio, alkylamino, or dialkylamino; and R 7 is C1-C4 alkyl, haloalkyl, or phenyl, optionally substituted with halo, nitro, or R 4 ; or an agronomic salt thereof.

  通过在种子播种前，优选地向种子施用公式1的杀菌剂来控制植物的扁腐病，其中Z1和Z2是C或N，是从苯，吡啶，噻吩，呋喃，吡咯，吡唑，噻唑和异噻唑中选择的芳香环的一部分；A是从—C（X）-胺，—C（O）—SR3，—NH—C（X）R4和—C（═NR）—XR7中选择的；B是—Wm—Q（R2）3或从o-甲苯基，1-萘基，2-萘基和9-菲基中选择的，每个都可以用卤素或R4取代；Q是C，Si，Ge或Sn；W是—C（R3）pH（2-p）—；或当Q是C时，W从—C（R3）pH（2-p）—，—N（R3）mH（1-m）—，—S（O）p—和—O—中选择；X是O或S；n是0，1，2或3；m是0或1；p是0，1或2；每个R是独立选择的，从a）卤素，酰基，氰基，氨基，硝基，硫氰酸基，异硫氰酸基，三甲基硅基和羟基中选择；b）C1-C4烷基，烯基，炔基，C3-C6环烷基和环烯基，每个都可以用卤素，羟基，硫，氨基，硝基，氰基，酰基，苯基，C1-C4烷氧基，烷基羰基，烷基硫基，烷基氨基，二烷基氨基，烷氧羰基，（烷硫）羰基，烷基氨基羰基，二烷基氨基羰基，烷基亚砜基或烷基磺酰基取代；c）苯基，呋喃基，噻吩基，吡咯基，每个都可以用卤素，酰基，氰基，氨基，硝基，C1-C4烷基，烯基，炔基，烷氧基，烷基硫基，烷基氨基，二烷基氨基，卤代烷基和卤代烯基取代；d）C1-C4烷氧基，烯氧基，炔氧基，C3-C6环烷氧基，环烯氧基，烷基硫基，烷基亚砜基，烷基磺酰基，烷基氨基，二烷基氨基，烷基羰基氨基，氨基羰基，烷基氨基羰基，二烷基氨基羰基，烷基羰基，烷基羰氧基，烷氧羰基，（烷硫）羰基，苯基羰基氨基，苯基氨基，每个都可以用卤素取代；其中两个R基可以结合形成融合环；每个R2是独立选择的，从烷基，烯基，炔基，环烷基，环烯基和苯基中选择，每个都可以用R4或卤素取代；当Q为C时，R2还可以选择自卤素，烷氧基，烷基硫基，烷基氨基和二烷基氨基；其中两个R2基可以结合形成带有Q的环；R3是C1-C4烷基；R4是C1-C4烷基，卤代烷基，烷氧基，烷基硫基，烷基氨基或二烷基氨基；R7是C1-C4烷基，卤代烷基或苯基，可以选择自卤素，硝基或R4取代；或其农学盐。
• US5498630A
  申请人：——

  公开号：US5498630A

  公开（公告）日：1996-03-12
• US5998466A
  申请人：——

  公开号：US5998466A

  公开（公告）日：1999-12-07
• US6028101A
  申请人：——

  公开号：US6028101A

  公开（公告）日：2000-02-22
• US6133252A
  申请人：——

  公开号：US6133252A

  公开（公告）日：2000-10-17