5-(4-Methyl-piperazinyl)-2,3,4,5-tetrahydro-1-benzothiepin | 20500-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 5-(4-Methyl-piperazinyl)-2,3,4,5-tetrahydro-1-benzothiepin
• 英文别名: 1-methyl-4-(2,3,4,5-tetrahydro-benzo[b]thiepin-5-yl)-piperazine；1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-4-methylpiperazine；1-Methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
• CAS: 20500-22-5
• 化学式: C₁₅H₂₂N₂S
• 分子量: 262.419
• InChiKey: XSQYQKVWBPCIIC-UHFFFAOYSA-N

物化性质

• 沸点：
  364.5±30.0 °C(Predicted)
• 密度：
  1.113±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  31.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Amino substituted benzo(hetero)cyclic derivatives
  申请人：Steiner Gerd

  公开号：US20060166984A1

  公开（公告）日：2006-07-27

  Use of compounds Formula (I), A=a 5- to 7-membered ring which may contain 1-3 heteroatoms and which may be saturated or partially or completely unsaturated; R 1 ═OH, SH, NH 2 , CN, NO 2 , halogen, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl; C 1 -C 6 -alkoxy, C 1 -C 6 -haloalkoxy, C 1 -C 6 -alkylthio, C 1 -C 6 -haloalkylthio, C 2 -C 6 -alkenyl, C 2 -C 6 alkenyloxy, C 2 -C 6 -alkenylthio, C 2 -C 6 -alkynyl, C 2 -C 6 -alkynyloxy, C 2 -C 6 -alkynylthio, C 1 -C 6 -alkylsulfonyl, C 1 -C 6 -alkylsulfoxyl, C 2 -C 6 -alkenylsulfonyl, C 2 -C 6 -alkylsulfoxyl, C 1 -C 6 -alkylcarbonyl, C 1 -C 6 -alkoxycarbonyl, C 1 -C 6 -aklylcarbonyloxy; R 2 ═C 1 -C 6 -alkyl or a mono- or bicyclic 5- to 10-membered aromatic ringsystem which may contain 1 to 4 heteroatoms and which is either bonded directly or through an O, S, C 1 -C 6 -alkylene or C 1 -C 6 -alkyleneoxy linkage to A or fused to A and which may be substituted; R 3 , R 4 ═H, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, C 1 -C 6 -alkyl-amino, C 1 -C 6 -alkoxy, C 3 -C 6 -cycloalkyl, or R 3 and R 4 together with the nitrogen atom to which they are attached form a saturated or partially saturated mono- or bicyclic 5- to 10-membered ring system containing 1 to 3 heteroatoms or a 5-membered hetaryl containing 1 to 4 nitrogen atoms, wherein the carbon and/or nitrogen atoms in the ring systems may be substituted or phenyl or benzyl which may be substituted; or R 3 and R 4 together form the chains —(CH 2 ) 2 N + (O—)(CH 2 ) 2 — or —(CH 2 ) 3 N + (O − )(CH 2 ) 2 —; m=0 to 4; n is 0 to 4; and the enantiomers, diastereomers, cis/trans isomers or salts thereof for combatting insects, arachnids or nematodes, methods for the control of these pests and of protecting growing plants attack or infestation by these pests by applying a pesticidally effective amount of a compound of formula (I), processes for preparing them, and compositions comprising them.

  化合物公式（I）的使用，其中A=a 5-至7-成员环，可能包含1-3个杂原子，并且可能是饱和的或部分或完全不饱和的；R1═OH、SH、NH2、CN、NO2、卤素、C1-C6-烷基、C1-C6-卤代烷基；C1-C6-烷氧基、C1-C6-卤代烷氧基、C1-C6-烷硫基、C1-C6-卤代烷硫基、C2-C6-烯基、C2-C6-烯氧基、C2-C6-烯硫基、C2-C6-炔基、C2-C6-炔氧基、C2-C6-炔硫基、C1-C6-烷基磺酰基、C1-C6-烷基亚砜基、C2-C6-烯基磺酰基、C2-C6-烷基亚砜基、C1-C6-烷基羰基、C1-C6-烷氧基羰基、C1-C6-烷基羰氧基；R2═C1-C6-烷基或单环或双环5-至10-成员芳香环系统，可能包含1至4个杂原子，直接或通过O、S、C1-C6-烷基或C1-C6-烷氧基连接到A或融合到A上，并且可能被取代；R3、R4═H、C1-C6-烷基、C1-C6-卤代烷基、C1-C6-烷基氨基、C1-C6-烷氧基、C3-C6-环烷基，或R3和R4与它们连接的氮原子一起形成一个饱和或部分饱和的单环或双环5-至10-成员环系统，其中包含1至3个杂原子或一个含1至4个氮原子的5-成员杂芳基，环系统中的碳和/或氮原子可能被取代，或苯基或苄基，可以被取代；或R3和R4一起形成链-（CH2）2N+（O-）（ ）2-或-（ ）3N+（O-）（ ）2-；m=0至4；n为0至4；其对抗昆虫、蜘蛛或线虫的恶性化合物的对映体、非对映异构体、顺反异构体或其盐，以及通过施用公式（I）的杀虫剂有效量来控制这些害虫和保护生长中的植物免受这些害虫的攻击或侵染的方法，制备它们的方法以及包含它们的组合物。
• AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES
  申请人：BASF Aktiengesellschaft

  公开号：EP1603395A2

  公开（公告）日：2005-12-14
• [EN] AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES<br/>[FR] DERIVES BENZO(HETERO)CYCLIQUES AMINO SUBSTITUES
  申请人：BASF AG

  公开号：WO2004080170A2

  公开（公告）日：2004-09-23

  Use of compounds Formula (I), A = a 5- to 7-membered ring which may contain 1-3 heteroatoms and which may be saturated or partially or completely unsaturated; R1= OH, SH, NH2, CN, NO2, halogen, C1-C6-alkyl, C1-C6-haloalkyl; C1-C6- alkoxy, C1-C6-haloalkoxy, C1-C6-alkylthio, C1-C6-haloalkylthio, C2-C6-alkenyl, C2-C6-alkenyloxy, C2-C6-alkenylthio, C2-C6-alkynyl, C2-C6­alkynyloxy, C2-C6-alkynylthio, C1-C6-alkylsulfonyl, C1-C6-alkylsulfoxyl, C2-C6-alkenylsulfonyl, C2-C6-alkynylsulfoxyl, C1-C6-alkylcarbonyl, C1-C6- alkoxycarbonyl, C1-C6-alkylcarbonyloxy; R2 = C1-C6-alkyl or a mono- or bicyclic 5- to 10-membered aromatic ringsystem which may contain 1 to 4 heteroatoms and which is either bonded directly or through an O, S, C1-C6-alkylene or C1-C6-alkyleneoxy linkage to A or fused to A and which may be substituted; R3, R4 = H, C1-C6-alkyl, C1-C6-haloalkyl, C1-C6-alkylamino, C1-C6-alkoxy, C3-C6-cycloalkyl, or R3 and R4 together with the nitrogen atom to which they are attached form a saturated or partially saturated mono- or bicyclic 5- to 10-membered ring system con-taining 1 to 3 heteroatoms or a 5-membered hetaryl containing 1 to 4 nitro-gen atoms, wherein the carbon and/or nitrogen atoms in the ring systems may be substituted or phenyl or benzyl which may be substituted; or R3 and R4 together form the chains -(CH2)2N+(O-)(CH2)2- or -(CH2)3N+(O-)(CH2)2-; m = 0 to 4; n is 0 to 4; and the enantiomers, diastereomers, cis/trans isomers or salts thereof for combatting insects, arachnids or nematodes, methods for the control of these pests and of protecting growing plants attack or infestation by these pests by applying a pesticidally effective amount of a compound of formula (I), processes for preparing them, and compositions comprising them.