4-methyl-3-(methylsulfanyl)-4,5-dihydro-1H-1,2,4-triazol-5-one | 53065-38-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-methyl-3-(methylsulfanyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
• 英文别名: 4-methyl-5-methylsulfanyl-2,4-dihydro-[1,2,4]triazol-3-one；4-Methyl-5-methylmercapto-2,4-dihydro-[1,2,4]triazol-3-on；4-methyl-5-methylthio-2,4-dihydro-3H-1,2,4-triazol-3-one；3-methylthio-4-methyl-(1H)-1,2, 4-triazolin-5-one；3-methylthio-4-methyl-1H-1,2,4-triazolin-5-one；3-methylthio-4-methyl-1,2,4-triazolin-5-one；3-Methylthio-4-methyl-1,2,4-triazole-5-one；4-methyl-3-methylsulfanyl-1H-1,2,4-triazol-5-one
• CAS: 53065-38-6
• 化学式: C₄H₇N₃OS
• 分子量: 145.185
• InChiKey: SUBCLGYPEJJNHN-UHFFFAOYSA-N

物化性质

• 熔点：
  96 °C(Solv: ethyl acetate (141-78-6))
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-3-(methylsulfanyl)-4,5-dihydro-1H-1,2,4-triazol-5-one 在 甲胺 作用下， 以 乙醇 为溶剂， 生成 3-methylamino-4-methyl-(1H)-1, 2,4-triazolin-5-one
  参考文献：
  名称：

  Herbicidal substituted triazolones

  摘要：

  具有通式##STR1##的除草性取代三唑酮，其中R1代表氢、烷基、烯基、炔基、卤代烷基、卤代烯基、卤代炔基、烷氧基烷基、烷氧基、环烷基烷基或环烷基，或者代表各自可任选取代的芳烷基或芳基，R2代表烷基、烯基、炔基、卤代烷基、卤代烯基、卤代炔基、烷氧基烷基、烷氧基、环烷基或环烷基烷基，或者代表各自可任选取代的芳基、芳烷基或杂芳基，R3和R4彼此独立地各自代表氢或有机基团，或者与它们所连接的氮原子一起代表一个可任选取代的杂环，X代表氧或硫，Y代表氧或硫。

  公开号：

  US05194084A1
• 作为产物：
  描述：

  5-疏基-4-甲基-4H-1,2,4-噻唑-3-醇 、 碘甲烷 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以97%的产率得到4-methyl-3-(methylsulfanyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
  参考文献：
  名称：

  [EN] GPR139 RECEPTOR MODULATORS
  [FR] MODULATEURS DU RÉCEPTEUR GPR139

  摘要：

  提供了调节GPR139受体的化合物，含有这些化合物的组合物，以及它们的制备和用于治疗GPR139受体调节在医学上指示或有益的疾病的方法。这些化合物具有以下结构的化学式（I）：或其药学上可接受的异构体、拉克酸盐、水合物、溶剂化合物、同位素或盐，其中R1、R4、R5、R9、R10、Q6、Q7和Q12如本文所定义。

  公开号：

  WO2021127459A1

文献信息

• Substituted sulphonyl amino(thio)carbonyl compounds and their use as herbicides
  申请人：Bayer Aktiengesellschaft

  公开号：US06677277B1

  公开（公告）日：2004-01-13

  The invention relates to novel sulfonylamino(thio)carbonyl compounds of the formula (I), in which n represents the numbers 0, 1 or 2, A represents a single bond, or oxygen or sulfur, or the grouping N—R, in which R represents hydrogen, alkyl, alkenyl, alkinyl or cycloalkyl, Q represents oxygen or sulfur, R1 represents hydrogen or formyl, or represents respectively optionally substituted alkyl, alkoxy, alkylamino, alkoxyamino, dialkylamino, N-alkoxy-N-alkyl-amino, alkylcarbonyl, alkoxycarbonyl, alkylsulfonyl, alkenyl, alkinyl, cycloalkyl, cycloalkylcarbonyl or cycloalkylsulfonyl, R2 represents cyano or halogen, or represents respectively optionally substituted alkyl, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, dialkylaminosulfonyl, alkenyl, alkinyl, alkenyloxy or alkinyloxy, and R3 represents respectively optionally substituted heterocyclyl having 5 ring members of which at least one is oxygen, sulfur or nitrogen and from one to three further ring members can be nitrogen, and salts of compounds of the formula (I), a plurality of processes and novel intermediates for preparing them and their use as herbicides.

  该发明涉及一种新型的磺酰胺基(硫)羰基化合物，其化学式为(I)，其中n代表数字0、1或2，A代表单键，或氧或硫，或基团N—R，其中R代表氢、烷基、烯基、炔基或环烷基，Q代表氧或硫，R1代表氢或甲酰基，或分别代表可选择取代的烷基、烷氧基、烷基氨基、烷氧基氨基、二烷基氨基、N-烷氧基-N-烷基-氨基、烷基羰基、烷氧羰基、烷基磺酰基、烯基、炔基、环烷基、环烷基羰基或环烷基磺酰基，R2代表氰基或卤素，或分别代表可选择取代的烷基、烷氧基、烷硫基、烷磺酰基、二烷基氨基磺酰基、烯基、炔基、烯基氧基或炔基氧基，R3代表分别可选择取代的含有5个环成员的杂环烷基，其中至少有一个是氧、硫或氮，另外一到三个环成员可以是氮，并且化合物的盐具有化学式(I)，多种制备它们的方法和新的中间体以及它们作为除草剂的用途。
• Sulphonyl amino (thio) carbonyl-1,2,4-triazolin (thi) one derivatives
  申请人：Bayer Aktiengesellschaft

  公开号：US05972844A1

  公开（公告）日：1999-10-26

  The invention relates to sulphonylamino(thio)carbonyl-triazolin(ethi)ones of the general formula (I) ##STR1## in which Q.sup.1 represents oxygen or sulphur, Q.sup.2 represents oxygen or sulphur, R.sup.1 represents hydrogen, hydroxyl, amino, alkylideneamino or a respectively optionally substituted radical from the group consisting of alkyl, alkenyl, alkinyl, alkoxy, alkenyloxy, alkylamino, dialkylamino, alkanoylamino, cycloalkyl, cycloalkylamino, cycloalkylalkyl, aryl and arylalkyl, R.sup.2 represents hydrogen, hydroxyl, mercapto, amino, halogen or a respectively optionally substituted radical from the group consisting of alkyl, alkenyl, alkinyl, alkoxy, alkenyloxy, alkinyloxy, alkylthio, alkenylthio, alkinylthio, alkylamino, alkenylamino, alkinylamino, dialkylamino, alkanoylamino, aziridino, pyrrolidino, piperidino, morpholino, cycloalkyl, cycloalkenyl, cycloalkyloxy, cycloalkylthio, cycloalkylamino, cycloalkylalkyl, cycloalkylalkoxy, cycloalkylalkylthio, cycloalkylalkylamino, aryl, arylalkyl, aryloxy, arylalkoxy, arylthio, arylalkylthio, arylamino and arylalkylamino, or R.sup.1 and R.sup.2 together represent optionally branched alkanediyl, and R.sup.3 represents respectively optionally substituted aryl, arylalkyl or heteroaryl, with the proviso that either Q.sup.1 or Q.sup.2 represents sulphur or both represent sulphur, and to salts of the compounds of the formula (I), furthermore to a plurality of processes for preparing the novel compounds of the formula (I) and the salts thereof and to the use of these compounds as herbicides.

  该发明涉及一般式（I）的磺酰胺基（硫）羰基三唑啉（硫）酮化合物，其中Q.sup.1代表氧或硫，Q.sup.2代表氧或硫，R.sup.1代表氢、羟基、氨基、烷基亚甲基氨基或分别来自由烷基、烯基、炔基、烷氧基、烯氧基、烷基氨基、二烷基氨基、烷酰氨基、环烷基、环烷基氨基、环烷基烷基、芳基和芳基烷基等基团可选地取代的基团，R.sup.2代表氢、羟基、巯基、氨基、卤素或分别来自烷基、烯基、炔基、烷氧基、烯氧基、炔氧基、烷硫基、烯硫基、炔硫基、烷基氨基、烯基氨基、炔基氨基、二烷基氨基、烷酰氨基、环氧环烷基、环烯基、环烷氧基、环烷硫基、环烷基氨基、环烷基烷基、环烷基烷氧基、环烷基烷硫基、环烷基烷基氨基、芳基、芳基烷基、芳氧基、芳基烷氧基、芳硫基、芳基烷硫基、芳基氨基和芳基烷基氨基，或R.sup.1和R.sup.2一起代表可选的支链烷二基，R.sup.3分别代表可选取代的芳基、芳基烷基或杂环烷基，但Q.sup.1或Q.sup.2代表硫或两者都代表硫，以及该化合物的盐，此外还涉及制备新的该化合物和其盐的多种方法以及将这些化合物用作除草剂。
• Intermediates for herbicidal sulphonylaminocarbonyltriazolinones having
  申请人：Bayer Aktiengesellschaft

  公开号：US05599944A1

  公开（公告）日：1997-02-04

  Triazolinone intermediates, for herbicidal sulphonylaminocarbonyltriazolines having substituents which are bonded via sulphur, of the formula ##STR1## in which n is 0, and ______________________________________ R.sup.1' is and R.sup.2' is ______________________________________ (a) C.sub.2 H.sub.5 CH.sub.3 (b) C.sub.2 H.sub.5 C.sub.2 H.sub.5 (c) C.sub.2 H.sub.5 C.sub.3 H.sub.7 (d) C.sub.2 H.sub.5 CH(CH.sub.3).sub.2 (e) C.sub.2 H.sub.5 CH.sub.2CHCH.sub.2 (f) C.sub.3 H.sub.7 CH.sub.3 (g) C.sub.3 H.sub.7 C.sub.2 H.sub.5 (h) C.sub.3 H.sub.7 C.sub.3 H.sub.7 (i) C.sub.3 H.sub.7 CH(CH.sub.3).sub.2 (j) C.sub.3 H.sub.7 CH.sub.2CHCH.sub.2 (k) ##STR2## CH.sub.3 (l) ##STR3## C.sub.2 H.sub.5 (m) ##STR4## C.sub.3 H.sub.7 (n) ##STR5## CH(CH.sub.3).sub.2 (o) ##STR6## CH.sub.2CHCH.sub.2 (p) CH.sub.2CHCH.sub.2 C.sub.2 H.sub.5 (q) CH.sub.2CHCH.sub.2 CH.sub.2CHCH.sub.2 (r) CH.sub.2CHCH.sub.2 CH(CH.sub.3).sub.2 (s) CH.sub.2CHCH.sub.2 C.sub.3 H.sub.7 (t) ##STR7## CH.sub.2CCH (u) CH.sub.2CHCH.sub.2 CH.sub.2CCH (v) OCH.sub.3 CH.sub.3 (w) OCH.sub.3 C.sub.2 H.sub.5 (x) or in which n is 2, R.sup.1' is CH.sub.3, and R2' is CH.sub.3. ______________________________________

  三唑啉酮中间体，用于具有通过硫键合的取代基的除草磺酰氨基三唑啉的化学式为##STR1##其中n为0，______________________________________ R.sup.1'为，R.sup.2'为______________________________________ (a) C.sub.2 H.sub.5 CH.sub.3 (b) C.sub.2 H.sub.5 C.sub.2 H.sub.5 (c) C.sub.2 H.sub.5 C.sub.3 H.sub.7 (d) C.sub.2 H.sub.5 CH(CH.sub.3).sub.2 (e) C.sub.2 H.sub.5 CH.sub.2CHCH.sub.2 (f) C.sub.3 H.sub.7 CH.sub.3 (g) C.sub.3 H.sub.7 C.sub.2 H.sub.5 (h) C.sub.3 H.sub.7 C.sub.3 H.sub.7 (i) C.sub.3 H.sub.7 CH(CH.sub.3).sub.2 (j) C.sub.3 H.sub.7 CH.sub.2CHCH.sub.2 (k) ##STR2## CH.sub.3 (l) ##STR3## C.sub.2 H.sub.5 (m) ##STR4## C.sub.3 H.sub.7 (n) ##STR5## CH(CH.sub.3).sub.2 (o) ##STR6## CH.sub.2CHCH.sub.2 (p) CH.sub.2CHCH.sub.2 C.sub.2 H.sub.5 (q) CH.sub.2CHCH.sub.2 CH.sub.2CHCH.sub.2 (r) CH.sub.2CHCH.sub.2 CH(CH.sub.3).sub.2 (s) CH.sub.2CHCH.sub.2 C.sub.3 H.sub.7 (t) ##STR7## CH.sub.2CCH (u) CH.sub.2CHCH.sub.2 CH.sub.2CCH (v) OCH.sub.3 CH.sub.3 (w) OCH.sub.3 C.sub.2 H.sub.5 (x)或n为2，R.sup.1'为CH.sub.3，R2'为CH.sub.3。 ______________________________________
• Thienysulfonylamino (thio) carbonyl compounds
  申请人：Bayer Aktiengesellschaft

  公开号：US06383988B1

  公开（公告）日：2002-05-07

  The invention relates to novel thienylsulphonylamino(thio)carbonyl compounds of the formula (I), in which Q represents oxygen or sulphur, R1 represents cyano, halogen or in each case optionally cyano-, halogen- or C1-C4-alkoxy-substituted alkyl, alkenyl, alkinyl, alkoxy, alkenyloxy or alkinyloxy having in each case up to 6 carbon atoms, R2 represents cyano, halogen or in each case optionally cyano-, halogen- or C1-C4-alkoxy-substituted alkyl, alkenyl, alkinyl, alkoxy, alkenyloxy or alkinyloxy having in each case up to 6 carbon atoms, and R3 represents in each case optionally substituted heterocyclyl having 5 ring members, at least one of which represents oxygen, sulphur or nitrogen and one to three others may represent nitrogen, and salts of compounds of the formula (I), to processes and novel intermediates for preparing the novel compounds and to their use as herbicides.

  本发明涉及一种新型噻吩磺酰氨基（硫）羰基化合物，其化学式为（I），其中Q代表氧或硫，R1代表氰基，卤素或在每种情况下可选择氰基，卤素或C1-C4-烷氧基取代的烷基，烯基，炔基，烷氧基，烯氧基或炔氧基，每种基团中均含有最多6个碳原子，R2代表氰基，卤素或在每种情况下可选择氰基，卤素或C1-C4-烷氧基取代的烷基，烯基，炔基，烷氧基，烯氧基或炔氧基，每种基团中均含有最多6个碳原子，R3代表在每种情况下可选择取代的含5个环成员的杂环基，其中至少一个成员代表氧，硫或氮，另外一个到三个成员可以代表氮，以及化合物（I）的盐，用于制备新化合物的过程和新中间体以及其作为除草剂的用途。
• Herbicidal sulphonylaminocarbonyltriazolinones having substituents which
  申请人：Bayer Aktiengesellschaft

  公开号：US05149356A1

  公开（公告）日：1992-09-22

  Herbicidal sulphonylaminocarbonyl-triazolinones having substituents which are bonded via sulphur, of the formula ##STR1## in which n represents the numbers 0, 1 or 2, R.sup.1 represents hydrogen, hydroxyl or amino, or represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, aralkyl, aryl, alkoxy, alkenyloxy, alkylamino, cycloalkylamino and dialkylamino, R.sup.2 represents an optionally substituted radical from the series comprising alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkenyl, aralkyl and aryl, and R.sup.3 represents an optionally substituted radical from the series comprising alkyl, aralkyl, aryl and heteroaryl, as well as salts of compounds of the formula (I), Also new are the compounds of the following formula: ##STR2## in which n, R.sup.1 and R.sup.2 have the abovementioned meanings and Z represents halogen, alkoxy, aralkoxy or aryloxy.

  具有通过硫键合的取代基的除草剂磺酰氨基甲酰三唑烷，化学式为##STR1## 其中n代表数字0、1或2，R.sup.1代表氢、羟基或氨基，或代表选自包括烷基、烯基、炔基、环烷基、芳基烷基、芳基、烷氧基、烯氧基、烷基氨基、环烷基氨基和二烷基氨基的可选取代基，R.sup.2代表选自包括烷基、烯基、炔基、环烷基、环烯基、芳基烷基和芳基的可选取代基，R.sup.3代表选自包括烷基、芳基烷基、芳基和杂环芳基的可选取代基，以及化合物(I)的盐。新的化合物的化学式如下：##STR2## 其中n、R.sup.1和R.sup.2具有上述含义，Z代表卤素、烷氧基、芳基烷氧基或芳氧基。