5,6-Dimethyl-3,4-dihydro-2H-thiopyran | 100949-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫吡喃类
• 英文名称: 5,6-Dimethyl-3,4-dihydro-2H-thiopyran
• 英文别名: 5,6-dimethyl-3,4-dihydro-2H-thiopyran
• CAS: 100949-50-6
• 化学式: C₇H₁₂S
• 分子量: 128.238
• InChiKey: JLJQQXITEDOUCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5,6-Dimethyl-3,4-dihydro-2H-thiopyran 在 双氧水 作用下， 以 丙酮 为溶剂， 反应 50.0h， 生成 5,6-Dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
  参考文献：
  名称：

  Dye-sensitized photooxygenation of 2,3-dihydrothiophenes: formation of stable 1,2-dioxetanes from 4,5-dialkyl-substituted derivatives

  摘要：

  Singlet oxygen reacts with 4,5-dimethyl- (1a), 4-ethyl-5-methyl- (1b), and 4-isopropyl-5-methyl-2,3-dihydrothiophene (1c) to give 1,2-dioxetanes 2a-c in high yields (> 90%). 2a-c represent the first examples of sulfur-substituted dioxetanes that could be isolated. Less than 5% of allylic hydroperoxides 3a, 4a, and 3b, identified by their H-1 NMR spectra, and less than 5% of S-oxides 5a-c were formed in competing ene reactions and sulfoxide-producing steps, respectively. Due to its decreased rigidity, dioxetane 2a is less stable than its oxygen counterpart. Increased flexibility of dioxetanes derived from dihydrothiophenes and dihydrothiopyrans, as compared to those derived from dihydrofurans and dihydropyrans, causes dioxetanes 9 and 16, obtained from 4-carbomethoxy-5-methyl-2,3-dihydrothiophene (8) and 5,6-dimethyl-3,4-dihydro-2H-thiopyran (14), to cleave into dicarbonyl compounds readily at low temperatures. Sulfur-substituted allylic hydroperoxides are also less stable than their oxygen counterparts. Formation of the expected endocyclic allylic hydroperoxides 3a, 3b, and 10 is inferred from the appearance of their H2O2 elimination products, thiophenes 7a, 7b and 13, respectively.

  DOI：

  10.1021/jo00012a041
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 作用下， 生成 5,6-Dimethyl-3,4-dihydro-2H-thiopyran
  参考文献：
  名称：

  577.硫代环烷-2-烯的合成

  摘要：

  DOI：

  10.1039/jr9580002834

文献信息

• (Hetero)Cyclycarboxamides for Controlling Pathogenic Fungi
  申请人：Gewehr Markus

  公开号：US20070275981A1

  公开（公告）日：2007-11-29

  The invention relates to the use of (hetero)cyclylcarboxamides of general formula (I) and to the agriculturally useful salts thereof for controlling plant pathogenic fungi, the variables in formula (I) having the following designations: A represents phenyl or an at least monosaturated five-membered or six-membered heterocycle with 1, 2 or 3 heteroatoms as ring members selected from N, O, S, S(═O) and S(═O) 2 , where phenyl and the at least monosaturated five-membered or six-membered heterocycle can be unsubstituted or substituted according to the description; Y represents oxygen or sulphur; R 1 represents H, OH, alkyl, cycloalkyl, alkoxy, halogenalkyl, halogencycloalkyl or halogenalkoxy; R 2 and R 3 represent H, halogen, nitro, CN, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; R 4 represents halogen, nitro, CN, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; R 5 represents hydrogen, halogen, nitro, CN, OH, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, alkenyloxy, alkinyloxy, alkoxyalkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; alklthio, halogenalkylthio, alkylsulfinyl, halogenalkylsulfinyl, alkylsulfonyl, halogenalkylsulfonyl, —(CR 6 )═NOR 7 , —C(O)R 8 , NR 9 R 10 , —C(O)NR 9 R 10 , —C(S)NR 9 R 10 , phenyl or phenylalkyl, the phenyl ring in the last two radicals optionally comprising between 1 and 4 of the radicals cited for R 4 ; R 6 , R 7 , R 8 , R 9 and R 10 have the designations cited in the description; the two radicals R 4 and R 5 bound to adjacent carbon atoms can also represent an alkylene chain with 3 to 5 members, wherein 1 or 2 non-adjacent CH 2 groups can also be replaced by O or S, and part or all of the hydrogens can be replaced by halogen; Ar represents phenyl, naphtyl or a five-membered or six-membered heteroaromatic radical with 1, 2 or 3 heteroatoms as ring members selected from N, O, and S, that can optionally also carry a fused benzene ring; and n represents 0, 1, 2, 3, or 4. The invention also relates to crop protection agents containing said compounds.

  该发明涉及使用一般式（I）的（杂）环戊酰胺及其在农业上有用的盐来控制植物病原真菌，式（I）中的变量具有以下符号：A代表苯或至少含有1、2或3个杂原子（N、O、S、S(═O)和S(═O)2）的五元环或六元环，其中苯和至少含有1个杂原子的五元环或六元环可以按照说明未取代或取代；Y代表氧或硫；R1代表H、OH、烷基、环烷基、烷氧基、卤代烷基、卤代环烷基或卤代烷氧基；R2和R3代表H、卤素、硝基、CN、烷基、环烷基、烯基、炔基、烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；R4代表卤素、硝基、CN、烷基、环烷基、烯基、炔基、烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；R5代表氢、卤素、硝基、CN、OH、烷基、环烷基、烯基、炔基、烷氧基、烯基氧基、炔基氧基、烷氧基烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；alklthio、卤代烷硫基、烷基磺酰基、卤代烷磺酰基、烷基磺酰基、卤代烷磺酰基、—(CR6)═NOR7、—C(O)R8、NR9R10、—C(O)NR9R10、—C(S)NR9R10、苯或苯基烷基，最后两个基团中的苯环可以选择包含1到4个R4中列出的基团；R6、R7、R8、R9和R10具有说明中列出的符号；相邻碳原子上结合的两个基团R4和R5也可以代表具有3到5个成员的烷基链，其中1或2个非相邻的CH2基团也可以被O或S替换，部分或全部氢原子可以被卤素取代；Ar代表苯、萘或具有1、2或3个杂原子（N、O和S）的五元环或六元环杂芳基，也可以携带一个融合的苯环；n代表0、1、2、3或4。该发明还涉及含有上述化合物的作物保护剂。
• TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES
  申请人：Witschel Matthias

  公开号：US20070197393A1

  公开（公告）日：2007-08-23

  Tricyclic benzoylpyrazole derivatives of the formula I where: X is oxygen, sulfur, S═O, S(═O) 2 , CR 6 R 7 , NR 8 or a bond; Y together with the two carbons to which it is attached forms a saturated, partially saturated or unsaturated 5- or 6-membered heterocycle; R 1 , R 2 , R 6 , R 7 are hydrogen, alkyl, haloalkyl, alkoxy or haloalkoxy; R 3 is halogen, alkyl, haloalkyl, alkoxy or haloalkoxy; R 4 is hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkylsulfonyl, haloalkylsulfonyl, unsubstituted or substituted aminosulfonyl or unsubstituted or substituted sulfonylamino; R 5 is hydrogen, alkyl or halogen; l is 0, 1 or 2; R 8 is hydrogen, alkyl, haloalkyl, alkylcarbonyl, formyl, alkoxycarbonyl, haloalkoxycarbonyl, alkylsulfonyl or haloalkylsulfonyl; R 9 is substituted pyrazol-4-ylcarbonyl or substituted 5-oxopyrazolin-4-ylmethylidene; and their agriculturally useful salts; processes and intermediates for preparing the tricyclic benzoylpyrazole derivatives; compositions comprising them and the use of these derivatives or of the compositions comprising them for controlling undesirable plants are described.

  化合物I的三环苯甲酰吡唑衍生物的公式为：其中：X是氧、硫、S═O、S（═O）2、CR6R7、NR8或键；Y与其连接的两个碳原子形成饱和、部分饱和或不饱和的5-或6元杂环；R1、R2、R6、R7为氢、烷基、卤代烷基、烷氧基或卤代烷氧基；R3为卤素、烷基、卤代烷基、烷氧基或卤代烷氧基；R4为氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷基硫基、卤代烷基硫基、烷基亚磺酰基、卤代烷基亚磺酰基、烷基磺酰基、卤代烷基磺酰基、未取代或取代的氨基磺酰基或未取代或取代的磺酰胺基；R5为氢、烷基或卤素；l为0、1或2；R8为氢、烷基、卤代烷基、烷基羰基、甲酰基、烷氧羰基、卤代烷氧羰基、烷基磺酰基或卤代烷基磺酰基；R9为取代的吡唑-4-基羰基或取代的5-氧代吡唑-4-基甲基亚胺基；以及它们的农业有用盐；描述了制备这些三环苯甲酰吡唑衍生物的过程和中间体；包含它们的组合物以及使用这些衍生物或包含它们的组合物来控制不良植物的用途。
• 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。
• Alkynyl pyridine-substituted amide compound and pesticide
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US10029986B2

  公开（公告）日：2018-07-24

  Provided is a novel pesticide, particularly a fungicide and a nematicide. An alkynyl pyridine-substituted amide compound represented by formula (I), its N-oxide or a salt thereof, and a pesticide containing it. [In the formula, G1 is a structure represented by G1-1a, G1-3a, G1-27a, etc.; X1 is a halogen atom, difluoromethyl, trifluoromethyl, etc.; Y1 is a halogen atom, etc.; Y2, Y3, R4 and R5 independently represent a hydrogen atom, etc.; R1 is a hydrogen atom, a halogen atom, methyl, methoxy, etc.; R2 is a hydrogen atom, a halogen atom, etc., or R1 and R2 together form an alkylene chain thereby to form a cyclopropyl group together with the carbon atom to which R1 and R2 are bonded, or R1 and R2 together form C1-C2 alkylidene or C1-C2 haloalkylidene; R3 is a hydrogen atom, methyl, etc.; and R6 is C1-C4 alkyl, C3-C6 cycloalkyl, C1-C4 alkoxy(C1-C4)alkyl, etc.]

  本发明提供了一种新型农药，特别是一种杀真菌剂和杀线虫剂。一种由式（I）代表的炔基吡啶取代酰胺化合物、其 N-氧化物或其盐，以及一种含有该化合物的农药。[式中，G1 是由 G1-1a、G1-3a、G1-27a 等代表的结构；X1 是卤素原子、二氟甲基、三氟甲基等；Y1 是卤素原子等；Y2、Y3、R4 和 R5 独立地代表氢原子等；R1 是氢原子、卤素原子、甲基、甲氧基等；R2 是氢原子、卤素原子等、或 R1 和 R2 一起形成亚烷基链，从而与 R1 和 R2 键合的碳原子一起形成环丙基，或 R1 和 R2 一起形成 C1-C2 亚烷基或 C1-C2 卤代亚烷基；R3 是氢原子、甲基等；R6 是 C1-C4 烷基、C3-C6 环烷基、C1-C4 烷氧基（C1-C4）烷基等。］
• OXAZINE DERIVATIVE
  申请人：Shionogi & Co., Ltd.

  公开号：EP2511268B1

  公开（公告）日：2016-07-13