2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline | 137402-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline
• 英文别名: 3-[3-(trifluoromethyl)phenyl]-5-methyl-2-iminothiazoline；2-imino-3-(3-(trifluoromethyl)phenyl)-5-methyl-4-thiazoline；2(3H)-Thiazolimine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-；5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
• CAS: 137402-43-8
• 化学式: C₁₁H₉F₃N₂S
• 分子量: 258.267
• InChiKey: QWMCDFGURPBMNF-UHFFFAOYSA-N

物化性质

• 沸点：
  304.4±52.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  四氟乙烯 、 2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline 在 正丁胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(difluoroacetyl)imino]-3-[(3-trifluoromethyl)phenyl]-5-methylthiazoline
  参考文献：
  名称：

  Process for production of fluoroalkane carboxamide derivatives

  摘要：

  本发明揭示了一种制备式(I)的氟烷基羧酰胺衍生物的方法：其中，R1是卤原子，取代至少一个卤原子的烷基或取代至少一个卤原子的烷氧基；R2是氢原子或卤原子；R3是甲基，乙基，氯原子或溴原子；X和Y相同或不同，分别表示氢原子，氯原子，氟原子或三氟甲基基团，但X和Y不能同时表示氢原子或氯原子。该方法包括以下步骤：(a)在一级或二级胺的存在下，将式(II)的亚氨基噻唑化合物或其盐与式(III)的氟烯烃反应，其中X和Y如上所述；(b)将所得的反应混合物与水反应。

  公开号：

  US05484933A1
• 作为产物：
  描述：

  2-(acetylimino)-3-(3-trifluoromethylphenyl)-5-methylthiazoline 在 盐酸 作用下， 以 water ethanol 为溶剂， 生成 2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline
  参考文献：
  名称：

  Iminothiazolines, their production and use as herbicides, and

  摘要：

  一种具有以下结构式的亚胺噻唑化合物：##STR1##，可用作除草剂。

  公开号：

  US05244863A1
• 作为试剂：
  描述：

  2-(acetylimino)-3-(3-trifluoromethylphenyl)-5-methylthiazoline 、 盐酸 在 乙醇 、 乙酸乙酯 、 magnesium sulfate 、 2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline 作用下， 以 water ethanol 为溶剂， 反应 3.0h， 以to give 0.4 g of 2-imino-3- (3-trifluoromethylphenyl) -5-methylthiazoline (Compound (xi))的产率得到2-imino-3-(3-trifluoromethylphenyl)-5-methylthiazoline
  参考文献：
  名称：

  Iminothiazolines, their production and use as herbicides, and

  摘要：

  一种具有除草作用的亚胺噻唑化合物，化学式为：##STR1##

  公开号：

  US05426188A1

文献信息

• Process of producing 2-iminothiazoline derivatives and process of
  申请人：Sumitomo Chemical Company, Limited

  公开号：US05463069A1

  公开（公告）日：1995-10-31

  There is disclosed a process of producing a 2-iminothiazoline derivative of the general formula [II], characterized in that a thiourea derivative of the general formula [I] is treated with an acid. Also disclosed are a process of producing an N-substituted N-arylcyanamide derivative of the general formula [VI], characterized in that an N-arylcyanamide derivative of the general formula [IV] is reacted with an allyl halide derivative of the general formula [V] in an aprotic polar solvent in the presence of an iodide and an alkali metal carbonate; and a process of producing an N-substituted N-arylthiourea derivative of the general formula [VII], characterized in that an N-substituted N-arylcyanamide derivative of the general formula [VI] obtained as described above is further reacted with a chemical species which generates sulfide ion or hydrogensulfide ion.

  揭示了一种生产一般式[I]的硫脲衍生物的2-亚硫代噻唑啉衍生物的方法，其特征在于用酸处理一般式[I]的硫脲衍生物。还揭示了一种生产一般式[VI]的N-取代N-芳基氰胺衍生物的方法，其特征在于在无水极性溶剂中，在碘化物和碱金属碳酸盐的存在下，将一般式[IV]的N-芳基氰胺衍生物与一般式[V]的烯丙基卤代衍生物反应；以及一种生产一般式[VII]的N-取代N-芳基硫脲衍生物的方法，其特征在于将上述获得的一般式[VI]的N-取代N-芳基氰胺衍生物进一步与生成硫化物离子或硫氢化物离子的化学物种反应。
• Process of producing iminothiyzoline derivatives
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0545431A1

  公开（公告）日：1993-06-09

  There is disclosed a process for producing an iminothiazoline derivative of the general formula: wherein R¹ is halogen, halo(lower)alkyl, halo(lower)alkoxy or halo(lower)alkylthio; R² is hydrogen or halogen; and R⁴ is hydrogen or lower alkyl. This compound (I) can be obtained by cyclization of a thiourea derivative of the general formula: wherein R¹, R² and R⁴ are each the same as defined above, and R³ is hydrogen or (lower)alkylcarbonyl optionally substituted with at least one    of halogen, lower alkyl and lower alkoxy.

  公开了一种制备一般式为：其中R¹为卤素，卤（低）烷基，卤（低）烷氧基或卤（低）烷硫基；R²为氢或卤素；R⁴为氢或低烷基的亚氨基噻唑衍生物的方法。该化合物（I）可以通过一般式为的硫脲衍生物的环化得到：其中R¹，R²和R⁴分别如上定义，R³为氢或（低）烷基羰基，可选地取代至少一个卤素，低烷基和低烷氧基。
• Process for producing 2-iminothiazoline derivatives and process for producing their intermediates
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0600489A1

  公开（公告）日：1994-06-08

  There is disclosed a process of producing a 2-iminothiazoline derivative of the general formula [II], characterized in that a thiourea derivative of the general formula [I] is treated with an acid. Also disclosed are a process of producing an N-substituted N-arylcyanamide derivative of the general formula [VI], characterized in that an N-arylcyanamide derivative of the general formula [IV] is reacted with an allyl halide derivative of the general formula [V] in an aprotic polar solvent in the presence of an iodide and an alkali metal carbonate; and a process of producing an N-substituted N-arylthiourea derivative of the general formula [VII], characterized in that an N-substituted N-arylcyanamide derivative of the general formula [VI] obtained as described above is further reacted with a chemical species which generates sulfide ion or hydrogensulfide ion.

  公开了一种通式[II]的2-亚氨基噻唑啉衍生物的生产工艺，其特征在于通式[I]的硫脲衍生物用酸处理。还公开了一种通式[VI]的N-取代N-芳基氰酰胺衍生物的生产工艺，其特征在于通式[IV]的N-芳基氰酰胺衍生物与通式[V]的烯丙基卤化物衍生物在碘化物和碱金属碳酸盐存在下在钝极性溶剂中反应；以及一种生产通式[VII]的N-取代的N-芳基硫脲衍生物的工艺，其特征在于如上所述得到的通式[VI]的N-取代的N-芳基氰酰胺衍生物进一步与生成硫离子或氢硫离子的化学物质反应。
• Process for production of fluoroalkanecarboxamide derivatives
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0636616A1

  公开（公告）日：1995-02-01

  There is disclosed a process for the production of a fluoroalkanecarboxamide derivative of the formula (I): wherein R¹ is a halogen atom, an alkyl group substituted with at least one halogen atom or an alkoxyl group substituted with at least one halogen atom; R² is a hydrogen atom or a halogen atom; and R³ is a methyl group, an ethyl group, a chlorine atom or a bromine atom; X and Y are the same or different and each of them represents a hydrogen atom, a chlorine atom, a fluorine atom or a trifluoromethyl group, with the proviso that X and Y do not simultaneously represent a hydrogen atom or a chlorine atom, which comprises the steps of: (a) reacting an iminothiazoline compound of the formula (II): wherein R¹, R² and R³ are each as defined above, or a salt thereof with a fluoroolefin of the formula (III):         XYC=CF₂   (III) wherein X and Y are each as defined above, in the presence of a primary or secondary amine; and (b) reacting the resultant reaction mixture with water.

  本发明公开了一种生产式 (I) 氟烷甲酰胺衍生物的工艺： 其中R¹是卤素原子、至少被一个卤素原子取代的烷基或至少被一个卤素原子取代的烷氧基；R²是氢原子或卤素原子；R³是甲基、乙基、氯原子或溴原子；X和Y相同或不同，且各自代表一个氢原子、一个氯原子、一个氟原子或一个三氟甲基，但X和Y不同时代表一个氢原子或一个氯原子： (a) 使式(II)的亚氨基噻唑啉化合物反应： 其中 R¹、R² 和 R³ 均如上所定义，或其盐与式 (III) 的氟烯烃反应： XYC=CF₂ (III) 其中 X 和 Y 分别如上文所定义，在伯胺或仲胺存在下；以及 (b) 将生成的反应混合物与水反应。
• Iminothiazolines, their production and use as herbicides, and intermediates for their production
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0446802B1

  公开（公告）日：1995-06-07