5-methylsulfonyl-4-nitrothiophene-2-carbonitrile

• 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-methylsulfonyl-4-nitrothiophene-2-carbonitrile
• 英文别名: 2-methylsulphonyl-3-nitro-5-cyanothiophene
• 化学式: C₆H₄N₂O₄S₂
• 分子量: 232.241
• InChiKey: DCKDFDHRYFDQMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-bromo-4-nitrothiophene-2-carbonitrile 在 双氧水 作用下， 以 乙醚 、 溶剂黄146 为溶剂， 反应 27.0h， 生成 5-methylsulfonyl-4-nitrothiophene-2-carbonitrile
  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：

文献信息

• 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：EP0031173A1

  公开（公告）日：1981-07-01

  The invention relates to new nitrothiophenes of the general formula therein R is an alkyl group having 1-12 carbon atoms, which alkyl group may be substituted with a phenyl group substituted, if desired, with nitro, halogen, alkyl with 1-4 carbon atoms or alkoxy with 1-4 carbon atoms, with an alkoxycarbonyl group having 2-5 carbon atoms, orwith a thiocyanato group, or R is a phenyl group, a pyridyl group or a N-oxypyridyl group, which groups may be substituted with nitro, halogen, alkyl with 1-4 carbon atoms, or alkoxywith 1-4 carbon atoms; R1 is a hydrogen atom, a halogen atom, an alkyl group having 1-4 carbon atoms, or a phenyl group substituted or not substituted with nitro, halogen, alkyl with 1-4 carbon atoms, or alkoxy with 1-4 carbon atoms; R2 is a hydrogen atom, an alkyl group having 1-4 carbon atoms, a cyano group, an alkanoyl group having 1-5 carbon atoms, an a,a-dialkoxyalkyl- or a,a- alkylenedioxyalkyl group having 3-10 carbon atoms, a carboxy group, an alkoxycarbonyl group having 2-5 carbon atoms, an a-hydroxyalkyl group having 1-4 carbon atoms, an a-haloalkyl group having 1-4 carbon atoms, an a-alkoxyalkyl group having 2-6 carbon atoms, an alkoxycarboximidoyl group having 2-5 carbon atoms, a sulpho group, an amino-, alkylamino- or dialkylaminosulphonyl group, the alkyl group(s) of which has (have ) 1-4 carbon atoms, or an alkoxysulphonyl group having 1-4 carbon atoms, and n is 0-2. The compositions are particularly suitable to prevent infections by phytophagous microorganisms in agriculture and horticulture. For this purpose the seed is treated priorto 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.

  本发明涉及通式如下的新型硝基噻吩 其中R是具有1-12个碳原子的烷基，该烷基可被苯基取代，如果需要，可被硝基、卤素、具有1-4个碳原子的烷基或具有1-4个碳原子的烷氧基、具有2-5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-氧吡啶基，该基团可被硝基、卤素、具有1-4个碳原子的烷基或具有1-4个碳原子的烷氧基取代； R1 是氢原子、卤素原子、具有 1-4 个碳原子的烷基或被或未被硝基、卤素、具有 1-4 个碳原子的烷基或具有 1-4 个碳原子的烷氧基取代的苯基； R2 是氢原子、具有 1-4 个碳原子的烷基、氰基、具有 1-5 个碳原子的烷酰基、具有 3-10 个碳原子的 a,a-二烷氧基烷基或 a,a-亚烷基二氧基烷基、羧基、具有 2-5 个碳原子的烷氧羰基、具有 1-4 个碳原子的 a-羟基烷基、具有 1-4 个碳原子的 a-卤代烷基、具有 2-6 个碳原子的 a-烷氧基烷基、具有 2-5 个碳原子的烷氧羰酰亚胺基、磺酰基、氨基、烷基氨基或二烷基氨基磺酰基（其烷基具有 1-4 个碳原子）或具有 1-4 个碳原子的烷氧基磺酰基，且 n 为 0-2。 这些组合物特别适用于预防农业和园艺中植物性微生物的感染。为此，在播种前用组合物处理种子，或用组合物处理用于播种或种植的土壤，用量分别为每公斤种子 100 至 1,500 毫克活性物质和每公顷 2 至 100 公斤活性物质。
• 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
• Erba, Carlo Dell'; Sancassan, Fernando; Novi, Marino, Journal of the Chemical Society. Perkin transactions II, 1989, p. 1779 - 1782
  作者：Erba, Carlo Dell'、Sancassan, Fernando、Novi, Marino、Spinelli, Domenico、Consiglio, Giovanni、et. al.

  DOI：——

  日期：——