5-Acetyl-2-methylthio-3-nitrothiophen | 79456-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-Acetyl-2-methylthio-3-nitrothiophen
• 英文别名: 5-acetyl-2-methylthio-3-nitrothiophene；methylthio-3-nitro-5-acetylthiophene；1-[5-(Methylsulfanyl)-4-nitrothiophen-2-yl]ethan-1-one；1-(5-methylsulfanyl-4-nitrothiophen-2-yl)ethanone
• CAS: 79456-45-4
• 化学式: C₇H₇NO₃S₂
• 分子量: 217.269
• InChiKey: XSKKSRFLOSYDJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Acetyl-2-methylthio-3-nitrothiophen 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以65%的产率得到5-acetyl-2-methylsulfonyl-3-nitrothiophene
  参考文献：
  名称：

  Erba, Carlo Dell'; Sancassan, Fernando; Novi, Marino, Journal of the Chemical Society. Perkin transactions II, 1989, p. 1779 - 1782

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(5-氯-4-硝基-2-噻吩)-1-乙酮 在 sodium sulfide 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 5-Acetyl-2-methylthio-3-nitrothiophen
  参考文献：
  名称：

  Erker, Scientia Pharmaceutica, 1994, vol. 62, # 4, p. 337 - 346

  摘要：

  DOI：

文献信息

• Fungicidal and/or bactericidal compositions containing nitrothiophenes,
  申请人：Duphar International Research B.V.

  公开号：US04649154A1

  公开（公告）日：1987-03-10

  The invention relates to new nitrothiophenes of the general formula ##STR1## wherein R is an alkyl group having 1 to 12 carbon atoms, which alkyl group may be substituted with a phenyl group substituted, if desired, with nitro, halogen, alkyl with 1 to 4 carbon atoms or alkoxy with 1 to 4 carbon atoms, with an alkoxycarbonyl group having 2 to 5 carbon atoms, or with a thiocyanato group, or R is a phenyl group, a pyridyl group or an N-oxypyridyl group, which groups may be substituted with nitro, halogen, alkyl with 1 to 4 carbon atoms, or alkoxy with 1 to 4 carbon atoms; R.sub.1 is a hydrogen atom, a halogen atom, an alkyl group having 1 to 4 carbon atoms, or a phenyl group substituted or not substituted with nitro, halogen, alkyl with 1 to 4 carbon atoms, or alkoxy with 1 to 4 carbon atoms; R.sub.2 is a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, a cyano group, an alkanoyl group having 1 to 5 carbon atoms, an .alpha.,.alpha.-dialkoxyalkyl- or .alpha.,.alpha.-alkylenedioxyalkyl group having 3 to 10 carbon atoms, a carboxy group, an alkoxycarbonyl group having 2 to 5 carbon atoms, an .alpha.-hydroxyalkyl group having 1 to 4 carbon atoms, an .alpha.-haloalkyl group having 1 to 4 carbon atoms, an .alpha.-alkoxyalkyl group having 2 to 6 carbon atoms, an alkoxycarboximidoyl group having 2 to 5 carbon atoms, a sulpho group, an amino-, alkylamino- or dialkylaminosulphonyl group, the alkyl group(s) of which has (have) 1 to 4 carbon atoms, or an alkoxysulphonyl group having 1 to 4 carbon atoms, and n is 0 to 2. The compositions are particularly suitable to prevent infections by phytophagous microorganisms in agriculture and horticulture. For this purpose, the seed is treated prior to sowing or the soil destined for sowing or planting is treated with the composition in a dosage from 100 to 1,500 mg of active substance per kg of seed and from 2 to 100 kg of active substance per hectare, respectively.

  本发明涉及一种新的硝基噻吩，其一般式为##STR1##其中R是具有1至12个碳原子的烷基，该烷基可以被取代为苯基，若需要则取代为硝基、卤素、具有1至4个碳原子的烷基或具有1至4个碳原子的烷氧基，或具有2至5个碳原子的烷氧羰基，或具有硫氰基，或R是苯基、吡啶基或N-氧代吡啶基，这些基团可以被取代为硝基、卤素、具有1至4个碳原子的烷基或具有1至4个碳原子的烷氧基；R.sub.1是氢原子、卤素原子、具有1至4个碳原子的烷基，或者是取代或未取代的苯基，其取代基是硝基、卤素、具有1至4个碳原子的烷基或具有1至4个碳原子的烷氧基；R.sub.2是氢原子、具有1至4个碳原子的烷基、氰基、具有1至5个碳原子的脂肪酰基、具有3至10个碳原子的.alpha.，.alpha.-二烷氧基烷基或.alpha.，.alpha.-烷二氧基烷基、羧基、具有2至5个碳原子的烷氧羰基、具有1至4个碳原子的.alpha.-羟基烷基、具有1至4个碳原子的.alpha.-卤基烷基、具有2至6个碳原子的.alpha.-烷氧基烷基、具有2至5个碳原子的烷氧羧酰基、磺酰基、氨基、烷基氨基或二烷基氨基磺酰基，其中烷基具有1至4个碳原子，或具有1至4个碳原子的烷氧磺酰基，n为0至2。该组合物特别适用于防止农业和园艺中植食性微生物的感染。为此，种子在播种前或用于播种或种植的土壤以100至1,500毫克活性物质/千克种子的剂量或每公顷2至100千克活性物质的剂量处理该组合物。
• Nitrothiophenes, fungicidal and/or bactericidal compositions containing
  申请人：Duphar International Research B.V.

  公开号：US04451660A1

  公开（公告）日：1984-05-29

  The invention relates to new nitrothiophenes of the general formula ##STR1## wherein R is an alkyl group having 1 to 12 carbon atoms, which alkyl group may be substituted with a phenyl group substituted, if desired, with nitro, halogen, alkyl with 1 to 4 carbon atoms or alkoxy with 1 to 4 carbon atoms, with an alkoxycarbonyl group having 2 to 5 carbon atoms, or with a thiocyanato group, or R is a phenyl group, a pyridyl group or an N-oxypyridyl group, which groups may be substituted with nitro, halogen, alkyl with 1 to 4 carbon atoms, or alkoxy with 1 to 4 carbon atoms; R.sub.1 is a hydrogen atom, a halogen atom, an alkyl group having 1 to 4 carbon atoms, or a phenyl group substituted or not substituted with nitro, halogen, alkyl with 1 to 4 carbon atoms, or alkoxy with 1 to 4 carbon atoms; R.sub.2 is a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, a cyano group, an alkanoyl group having 1 to 5 carbon atoms, an .alpha.,.alpha.-dialkoxyalkyl- or .alpha.,.alpha.-alkylene-dioxyalkyl group having 3 to 10 carbon atoms, a carboxy group, an alkoxycarbonyl group having 2 to 5 carbon atoms, an .alpha.-hydroxyalkyl group having 1 to 4 carbon atoms, an .alpha.-haloalkyl group having 1 to 4 carbon atoms, an .alpha.-alkoxyalkyl group having 2 to 6 carbon atoms, an alkoxycarboximidoyl group having 2 to 5 carbon atoms, a sulpho group, an amino-, alkylamino- or dialkylamino- sulphonyl group, the alkyl group(s) of which has (have) 1 to 4 carbon atoms, or an alkoxysulphonyl group having 1 to 4 carbon atoms, and n is 0 to 2. The compositions are particularly suitable to prevent infections by phytophagous microorganisms in agriculture and horticulture. For this purpose, the seed is treated prior to sowing or the soil destined for sowing or planting is treated with the composition in a dosage from 100 to 1,500 mg of active substance per kg of seed and from 2 to 100 kg of active substance per hectare, respectively.

  本发明涉及一种新的一般式为##STR1##的硝基噻吩，其中R是具有1到12个碳原子的烷基，该烷基可以被苯基取代，如果需要，该苯基可以被硝基，卤素，具有1到4个碳原子的烷基或具有1到4个碳原子的烷氧基取代，或者被具有2到5个碳原子的烷氧羰基或硫氰酸基取代，或者R是苯基，吡啶基或N-氧代吡啶基，这些基团可以被硝基，卤素，具有1到4个碳原子的烷基或具有1到4个碳原子的烷氧基取代或不取代;R.sub.1是氢原子，卤素原子，具有1到4个碳原子的烷基或被硝基，卤素，具有1到4个碳原子的烷基或具有1到4个碳原子的烷氧基取代或不取代的苯基;R.sub.2是氢原子，具有1到4个碳原子的烷基，氰基，具有1到5个碳原子的脂肪酰基，具有3到10个碳原子的.alpha.，.alpha.-二烷氧基烷基或.alpha.，.alpha.-二氧基烷基烷基，羧基，具有2到5个碳原子的烷氧羰基，具有1到4个碳原子的.alpha.-羟基烷基，具有1到4个碳原子的.alpha.-卤代烷基，具有2到6个碳原子的.alpha.-烷氧基烷基，具有2到5个碳原子的烷氧羧酰基，磺酰基，氨基，烷基氨基或二烷基氨基磺酰基，其中烷基具有1到4个碳原子，或具有1到4个碳原子的烷氧磺酰基，n为0到2。该组合物特别适用于预防农业和园艺中植食性微生物的感染。为此，种子在播种前或用于播种或种植的土壤以每千克种子100至1,500毫克活性物质的剂量和每公顷2至100公斤活性物质的剂量进行处理。
• New nitrothiophenes, method of preparing the new compounds, as well as fungicidal and/or bactericidal compositions on the basis of the new compounds
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0031173B1

  公开（公告）日：1983-09-14
• US4451660A
  申请人：——

  公开号：US4451660A

  公开（公告）日：1984-05-29
• US4649154A
  申请人：——

  公开号：US4649154A

  公开（公告）日：1987-03-10