4-amino-5-methylthio-2, 4-dihydro-3H-1,2,4-triazol-3-one

• 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-amino-5-methylthio-2, 4-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: 4-amino-3-methylsulfanyl-1H-1,2,4-triazol-5-one
• 化学式: C₃H₆N₄OS
• 分子量: 146.173
• InChiKey: NLZRYYGFPLLKRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-amino-5-methylthio-2, 4-dihydro-3H-1,2,4-triazol-3-one 生成 4-amino-5-methylthio-2-benzyloxycarbonyl-2,4-dihydro-3H-1, 2,4-triazol-3-one
  参考文献：
  名称：

  MULLER, KLAUS-HELMUT;KLUTH, JOACHIM;KONIG, KLAUS;GASSEN, KARL-RUDOLF;FIND+

  摘要：

  DOI：

文献信息

• Herbicidal substituted 4-sulphonylamino-2-azinyl-1,2,4-triazol-3-ones
  申请人：Bayer Aktiengesellschaft

  公开号：US04988381A1

  公开（公告）日：1991-01-29

  Herbicidal substituted sulphonylaminotriazolinones of the formula ##STR1## in which R.sup.1 represents an optionally substituted radical from the group consisting of alkyl, aralkyl, aryl and heteroaryl, R.sup.2 represents hydrogen or the group --SO.sub.2 --R.sup.1 where R.sup.1 has the abovementioned meaning, R.sup.3 represents hydrogen, halogen, hydroxyl, mercapto, amino or an optionally substituted radical from the group consisting of alkyl, cycloalkyl, aralkyl, aryl, alkoxy, alkenyloxy, alkinyloxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkenylthio, alkinylthio, aralkoxy, aralkylthio, alkylamino and dialkylamino, R.sup.4 represents hydrogen, halogen, hydroxyl, amino or an optionally substituted radical from the group consisting of alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylamino and dialkylamino, X represents nitrogen or a CH group, Y represents nitrogen or a CR.sup.5 group where R.sup.5 represents hydrogen, halogen, cyano, alkyl, formyl, alkylcarbonyl or alkoxycarbonyl, and Z represents nitrogen or a CR.sup.6 group where R.sup.6 represents hydrogen, halogen, hydroxyl, amino or an optionally substituted radical from the group consisting of alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylamino and dialkylamino, and salts thereof. Intermediates of the formulas ##STR2## are also new.

  Herbicidal substituted sulphonylaminotriazolinones的化学式为##STR1##，其中R.sup.1代表从烷基、芳基、芳基烷基和杂环芳基组成的可选择取代基团，R.sup.2代表氢或--SO.sub.2--R.sup.1基团，其中R.sup.1具有上述含义，R.sup.3代表氢、卤素、羟基、巯基、氨基或从烷基、环烷基、芳基、烷氧基、烯氧基、炔氧基、烷硫基、烷砜基、烷磺基、烯硫基、炔硫基、芳基氧基、芳基硫基、烷基氨基和二烷基氨基组成的可选择取代基团，R.sup.4代表氢、卤素、羟基、氨基或从烷基、烷氧基、烷硫基、烷砜基、烷磺基、烷基氨基和二烷基氨基组成的可选择取代基团，X代表氮或CH基团，Y代表氮或CR.sup.5基团，其中R.sup.5代表氢、卤素、氰基、烷基、甲酰基、烷基羰基或烷氧羰基，Z代表氮或CR.sup.6基团，其中R.sup.6代表氢、卤素、羟基、氨基或从烷基、烷氧基、烷硫基、烷砜基、烷磺基、烷基氨基和二烷基氨基组成的可选择取代基团，以及其盐。化合物##STR2##的中间体也是新的。
• Herbicidal substituted 4-amino-5-alkylthio-1,2,4-triazol-3-ones
  申请人：Bayer Aktiengesellschaft

  公开号：US05021080A1

  公开（公告）日：1991-06-04

  Herbicidal substituted 4-amino-5-alkylthio-1,2,4-triazol-3-ones of the formula ##STR1## in which R.sup.1 represents in each case straight-chain or branched alkyl, alkenyl or alkinyl, each of which has up to 4 carbon atoms, and R.sup.2 represents sec-butyl, tert.-butyl or optionally substituted C.sub.5 -C.sub.10 -alkyl, alkenyl or alkinyl, or piperidyl- or morpholinyl-alkyl, optionally substituted C.sub.3, C.sub.4, C.sub.5 and C.sub.7 -cycloalkyl, substituted cyclohexyl, or optionally substituted benzyl, phenethyl, naphthylmethyl or naphthylethyl.

  该公式中的除草剂取代的4-氨基-5-烷硫基-1,2,4-三唑-3-酮，其中R.sup.1分别表示直链或支链烷基，烯烃基或炔烃基，每个基有多达4个碳原子，R.sup.2表示丙基，叔丁基或可选地取代的C.sub.5-C.sub.10-烷基，烯基或炔基，或哌啶基或吗啉基-烷基，可选地取代的C.sub.3，C.sub.4，C.sub.5和C.sub.7-环烷基，取代的环己基，或可选地取代的苄基，苯乙基，萘甲基或萘乙基。
• 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。 ______________________________________
• 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。
• Herbicidal substituted 4-sulphonylamino-2-azinyl-2,4-triazol-3-ones
  申请人：Bayer Aktiengesellschaft

  公开号：US05089627A1

  公开（公告）日：1992-02-18

  Herbicidal substituted sulphonylaminotriazolinones of the formula ##STR1## in which R.sup.1 represents an optionally substituted radical from the group consisting of alkyl, aralkyl, aryl and heteroaryl, R.sup.2 represents hydrogen or the group --SO.sub.2 --R.sup.1 where R.sup.1 has the abovementioned meaning, R.sup.3 represents hydrogen, halogen, hydroxyl, mercapto, amino or an optionally substituted radical from the group consisting of alkyl, cycloalkyl, aralkyl, aryl alkoxy, alkenyloxy, alkinyloxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkenylthio, alkinylthio, aralkoxy, aralkylthio, alkylamino and dialkylamino, R.sup.4 represents hydrogen, halogen, hydroxyl, amino or an optionally substituted radical from the group consisting of alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylamino and dialkylamino, X represents nitrogen or a CH group, Y represents nitrogen or a CR.sup.5 group where R.sup.5 represents hydrogen, halogen, cyano, alkyl, formyl, alkylcarbonyl or alkoxycarbonyl, and Z represents nitrogen or a CR.sup.6 group where R.sup.6 represents hydrogen, halogen, hydroxyl, amino or an optionally substituted radical from the group consisting of alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylamino and dialkylamino, and salts thereof. Intermediates of the formulas ##STR2## are also new.

  公式为##STR1##的除草剂取代磺酰氨基三唑酮，其中R.sup.1表示选自烷基，芳基烷基，芳基和杂环芳基的可选择取代基团，R.sup.2表示氢或--SO.sub.2--R.sup.1，其中R.sup.1具有上述含义，R.sup.3表示氢，卤素，羟基，巯基，氨基或选自烷基，环烷基，芳基烷氧基，烯丙氧基，炔丙氧基，烷基硫基，烷基亚砜基，烷基磺酰基，烯基硫基，炔基硫基，芳基烷氧基，芳基烷硫基，烷基氨基和二烷基氨基的可选择取代基团，R.sup.4表示氢，卤素，羟基，氨基或选自烷基，烷氧基，烷基硫基，烷基亚砜基，烷基磺酰基，烷基氨基和二烷基氨基的可选择取代基团，X表示氮或CH基团，Y表示氮或CR.sup.5基团，其中R.sup.5表示氢，卤素，氰基，烷基，甲酰基，烷基羰基或烷氧羰基，Z表示氮或CR.sup.6基团，其中R.sup.6表示氢，卤素，羟基，氨基或选自烷基，烷氧基，烷基硫基，烷基亚砜基，烷基磺酰基，烷基氨基和二烷基氨基的可选择取代基团，以及其盐。公式为##STR2##的中间体也是新的。