4,5,6,7-Tetrahydro-3-methyl-1,2-oxazepin | 87266-75-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: 4,5,6,7-Tetrahydro-3-methyl-1,2-oxazepin
• 英文别名: 3-Methyl-4,5,6,7-tetrahydrooxazepine
• CAS: 87266-75-9
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: STTHMTSKNHZULM-UHFFFAOYSA-N

物化性质

• 沸点：
  53-57 °C(Press: 0.6 Torr)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  triethyloxonium fluoroborate 、 4,5,6,7-Tetrahydro-3-methyl-1,2-oxazepin 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到2-Ethyl-4,5,6,7-tetrahydro-3-methyl-1,2-oxazepinium-tetrafluoroborat
  参考文献：
  名称：

  Shatzmiller, Shimon; Shalom, Eytan, Liebigs Annalen der Chemie, 1983, # 6, p. 897 - 905

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氯-2-己酮 在 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以16%的产率得到4,5,6,7-Tetrahydro-3-methyl-1,2-oxazepin
  参考文献：
  名称：

  Shatzmiller, Shimon; Shalom, Eytan, Liebigs Annalen der Chemie, 1983, # 6, p. 897 - 905

  摘要：

  DOI：

文献信息

• ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE
  申请人：MITA Takeshi

  公开号：US20110144334A1

  公开（公告）日：2011-06-16

  An isoxazoline-substituted benzamide compound of formula (1) or a salt thereof: wherein A 1 , A 2 and A 3 independently of one another are carbon atom or nitrogen atom, G is benzene ring, etc., W is oxygen atom or sulfur atom, etc., X is halogen atom, C 1 -C 6 haloalkyl, etc., Y is halogen atom, C 1 -C 6 alkyl, etc., R 1 is —CH═NOR 1a , —C(O)OR 1c , —C(O)NHR 1d , phenyl substituted with (Z) p1 , D-14, D-52, D-53, D-55 to D-59, etc., R 1a is C 1 -C 6 alkyl, etc., R 1c is C 1 -C 6 alkyl, etc., R 1d is hydrogen atom, —C(O)R 15 , —C(O)OR 15 , etc., R 2 is C 1 -C 6 alkyl, —CH 2 R 14a , C 1 -C 6 alkynyl, —C(O)R 15 , —C(O)OR 15 , etc., further when R 1 is —CH═NOR 1a , —C(O)OR 1c or —C(O)N(R 1e )R 1d , R 2 may be hydrogen atom, R 3 is C 1 -C 6 haloalkyl, etc., R 14a is cyano, —OR 25 , etc., R 15 is C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 4 alkoxy C 1 -C 4 alkyl, C 1 -C 4 alkylthio C 1 -C 4 alkyl, C 3 -C 6 cycloalkyl, C 2 -C 6 alkenyl, etc., R 25 is C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, —C(O)R 32 or —C(O)OR 32 , etc., R 32 is C 1 -C 6 alkyl or C 3 -C 6 cycloalkyl, etc., Z is halogen atom, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 alkoxy, etc., m is an integer of 0 to 5, n is an integer of 0 to 4, p1 is an integer of 1 to 5. The pesticide containing these compounds.

  一种公式（1）的异噁唑取代苯甲酰胺化合物或其盐： 其中，A1，A2和A3彼此独立地是碳原子或氮原子，G是苯环等，W是氧原子或硫原子等，X是卤素原子，C1-C6卤代烷基等，Y是卤素原子，C1-C6烷基等，R1是-CH═NOR1a，-C（O）OR1c，-C（O）NHR1d，苯基上取代（Z）p1，D-14，D-52，D-53，D-55至D-59等，R1a是C1-C6烷基等，R1c是C1-C6烷基等，R1d是氢原子，-C（O）R15，-C（O）OR15等，R2是C1-C6烷基，-CH2R14a，C1-C6炔基，-C（O）R15，-C（O）OR15等，进一步地，当R1是-CH═NOR1a，-C（O）OR1c或-C（O）N（R1e）R1d时，R2可以是氢原子，R3是C1-C6卤代烷基等，R14a是氰基，-OR25等，R15是C1-C6烷基，C1-C6卤代烷基，C1-C4烷氧基C1-C4烷基，C1-C4烷硫氧基C1-C4烷基，C3-C6环烷基，C2-C6烯基等，R25是C1-C4烷基，C1-C4卤代烷基，-C（O）R32或-C（O）OR32等，R32是C1-C6烷基或C3-C6环烷基等，Z是卤素原子，氰基，硝基，C1-C6烷基，C1-C6烷氧基等，m是0到5的整数，n是0到4的整数，p1是1到5的整数。含有这些化合物的杀虫剂。
• ISOXAZOLINE COMPOUND AND PESTICIDE
  申请人：MITA Takeshi

  公开号：US20110172414A1

  公开（公告）日：2011-07-14

  A pesticide, particularly an insecticide or an acaricide, including a substituted isoxazoline compound of formula (1) or a salt thereof: wherein A 1 , A 2 and A 3 independently of one another are carbon atom or nitrogen atom, G is benzene ring, etc., L is —N(R 2c )—, or —CH(R 2a )N(R 2c )—, etc., X is halogen atom, C 1 -C 6 haloalkyl, etc., Y is halogen atom, C 1 -C 6 alkyl, etc., R 1 is —C(O)R 1a , —C(O)OR 1a , —C(O)NHR 1a , etc., R 2 is hydrogen atom, C 1 -C 6 haloalkyl, —C 1 -C 4 alkoxy C 1 -C 4 alkyl, cyano C 1 -C 6 alkyl, C 3 -C 6 alkenyl, C 3 -C 6 alkynyl, —C(O)R 15 , —C(O)OR 15 , etc., R 3 is C 1 -C 6 haloalkyl, etc., m is an integer of 0 to 5, n is an integer of 0 to 4. The pesticide containing these compounds.

  一种杀虫剂，特别是一种杀虫剂或杀螨剂，包括式（1）的取代异噁唑啉化合物或其盐： 其中，A1，A2和A3相互独立地是碳原子或氮原子，G是苯环等，L是—N（R2c）—或—CH（R2a）N（R2c）—等，X是卤素原子，C1-C6卤代烷基等，Y是卤素原子，C1-C6烷基等，R1是—C（O）R1a，—C（O）OR1a，—C（O）NHR1a等，R2是氢原子，C1-C6卤代烷基，—C1-C4烷氧基C1-C4烷基，氰基C1-C6烷基，C3-C6烯基，C3-C6炔基，—C（O）R15，—C（O）OR15等，R3是C1-C6卤代烷基等，m是0到5的整数，n是0到4的整数。含有这些化合物的杀虫剂。
• OXIME-SUBSTITUTED AMIDE COMPOUND AND PEST CONTROL AGENT
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US20150210630A1

  公开（公告）日：2015-07-30

  To provide a novel pesticide, especially a fungicide and a nematocide. An oxime-substituted amide compound represented by the formula (I) or its salt, and a pesticide containing it: wherein G 1 is a structure represented by G 1 -1 or the like, G 2 is a structure represented by G 2 -2 or the like: W is an oxygen atom or the like, X 1 is a halogen atom, methyl, trifluoromethyl or the like, each of X 2 , X 3 , X 4 and X 5 is independently a hydrogen atom, a halogen atom or the like, each of Y 1 and Y 3 is independently a halogen atom, cyano, methyl, trifluoromethyl, C 2 -C 6 alkynyl or the like, each of Y 2 and Y 4 is independently a hydrogen atom, a halogen atom or the like, R 1 is C 1 -C 6 alkyl, C 1 -C 4 haloalkyl, (C 1 -C 4 )alkyl substituted with R 18 , C 3 -C 6 cycloalkyl, C 3 -C 6 alkenyl or the like, each of R 2 and R 3 is independently a hydrogen atom, methyl or the like, R 4 is a hydrogen atom or the like, R 18 is C 3 -C 6 cycloalkyl, phenyl, phenyl substituted with (Z) m or the like, Z is a halogen atom or the like, and m is an integer of 1, 2 or 3.

  提供一种新型杀虫剂，特别是杀菌剂和线虫杀剂。一种由式(I)或其盐表示的氧肟取代酰胺化合物，以及含有它的杀虫剂：其中G1是由G1-1或类似结构表示的结构，G2是由G2-2或类似结构表示的结构：W是氧原子或类似物，X1是卤素原子，甲基，三氟甲基或类似物，X2，X3，X4和X5中的每个都是独立的氢原子，卤素原子或类似物，Y1和Y3中的每个都是独立的卤素原子，氰基，甲基，三氟甲基，C2-C6炔基或类似物，Y2和Y4中的每个都是独立的氢原子，卤素原子或类似物，R1是C1-C6烷基，C1-C4卤代烷基，(C1-C4)烷基取代R18，C3-C6环烷基，C3-C6烯基或类似物，R2和R3中的每个都是独立的氢原子，甲基或类似物，R4是氢原子或类似物，R18是C3-C6环烷基，苯基，取代(Z)m的苯基或类似物，其中Z是卤素原子或类似物，m是1、2或3的整数。
• SUBSTITUTED DIHYDROAZOLE COMPOUND AND PEST CONTROL AGENT
  申请人：Mita Takeshi

  公开号：US20100298558A1

  公开（公告）日：2010-11-25

  There is provided a novel pest control agent, particularly an insecticide or miticide. A substituted dihydroazole compound of General Formula (1) or a salt thereof: where A 1 , A 2 , A 3 and A 4 are independently C—Y or N, A 5 is —CH 2 —, etc., G 1 is a benzene ring, etc., G 2 is G 2 -1, G 2 -6, G 2 -9, etc., X is a halogen atom, C 1-2 haloalkyl, etc., Z is methyl, —NH 2 , etc., R 1 is —C(O)R 1a , etc., R 1a is C 1-4 alkyl, etc., R 2 is H, C 1-4 alkyl, etc., R 3 is C 1-2 haloalkyl, etc., R 4 is H, cyano, methyl, etc., m is an integer of 1, 2, 3, etc., n is an integer of 0 or 1; and a pest control agent comprising the compound or the salt thereof.

  提供了一种新型的害虫控制剂，特别是杀虫剂或杀螨剂。该化合物为通式（1）中的取代二氢唑化合物或其盐：其中A1、A2、A3和A4独立地为C-Y或N，A5为—CH2—等，G1为苯环等，G2为G2-1、G2-6、G2-9等，X为卤原子、C1-2卤代烷基等，Z为甲基、—NH2等，R1为—C（O）R1a等，R1a为C1-4烷基等，R2为H、C1-4烷基等，R3为C1-2卤代烷基等，R4为H、氰基、甲基等，m为1、2、3等整数，n为0或1的整数；以及包含该化合物或其盐的害虫控制剂。
• Substituted isoxazoline compound and pesticide
  申请人：Mita Takeshi

  公开号：US20090156643A1

  公开（公告）日：2009-06-18

  There is provided a novel pesticide, particularly an insecticide or an acaricide. A substituted isoxazoline compound of formula (1) or a salt thereof: wherein A 1 , A 2 and A 3 independently of one another are carbon atom or nitrogen atom, G is benzene ring, etc., L is —CH 2 —, —C(CH 3 )—, —CH(CN)—, etc., X is halogen atom, C 1 -C 6 haloalkyl, etc., Y is halogen atom, C 1 -C 6 alkyl, etc., R 1 is —C(O)R 1a , —C(O)OR 1a , —C(O)NHR 1a , etc., R 2 is hydrogen atom, C 1 -C 6 haloalkyl, —C 1 -C 4 alkoxy C 1 -C 4 alkyl, cyano C 1 -C 6 alkyl, C 3 -C 6 alkenyl, C 3 -C 6 alkynyl, —C(O)R 15 , —C(O)OR 15 , etc., R 3 is C 1 -C 6 haloalkyl, etc., m is an integer of 0 to 5, n is an integer of 0 to 4. The pesticide containing these compounds.

  提供了一种新型杀虫剂，特别是一种杀虫剂或螨虫剂。化合物的代替异唑啉化合物的公式（1）或其盐：其中A1，A2和A3彼此独立地是碳原子或氮原子，G是苯环等，L是-CH2-，-C（CH3）-，-CH（CN）-等，X是卤素原子，C1-C6卤代烷基等，Y是卤素原子，C1-C6烷基等，R1是-C（O）R1a，-C（O）OR1a，-C（O）NHR1a等，R2是氢原子，C1-C6卤代烷基，-C1-C4烷氧基C1-C4烷基，氰基C1-C6烷基，C3-C6烯基，C3-C6炔基，-C（O）R15，-C（O）OR15等，R3是C1-C6卤代烷基等，m是0到5的整数，n是0到4的整数。含有这些化合物的杀虫剂。