5-dimethylamino-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | 118846-73-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-dimethylamino-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: 5-dimethylamino-4-methyl-2,4-dihydro[1,2,4]triazol-3-one；4-methyl-3-dimethylamino-1,2,4-(1H)-triazolin-5-one；3-dimethylamino-4-methyl-1H-1,2,4-triazolin-5-one；3-dimethylamino-4-methyl-1,2,4-triazolin-5-one；4-methyl-3-dimethylamino-1,2,4-triazolin-5-one；3-(dimethylamino)-4-methyl-1H-1,2,4-triazol-5-one
• CAS: 118846-73-4
• 化学式: C₅H₁₀N₄O
• 分子量: 142.161
• InChiKey: LMQNCDSSEDJWMA-UHFFFAOYSA-N

物化性质

• 熔点：
  78-80 °C
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-dimethylamino-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 以 二氯甲烷 为溶剂， 生成 2-chlorosulphonylaminocarbonyl-5-dimethylamino-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  Sulphonylaminocarbonyltriazolinones

  摘要：

  这项发明涉及公式（I）的新磺胺基羰基三唑酮类化合物 在该公式中，Q代表氧、硫或以下的一种基团之一 （其中基团R.sup.1、R.sup.2、R.sup.3和R.sup.4的含义如描述中所述），以及公式（I）化合物的盐、用于制备新化合物的方法和新中间体，以及它们作为除草剂的用途。

  公开号：

  US05654438A1
• 作为产物：
  描述：

  N'-amino-N,N,N''-trimethyl-guanidine 生成 5-dimethylamino-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  FINDEISEN, KURT;LINDIG, MARKUS;SANTEL, HANS-JOACHIM;SCHMIDT, ROBERT R.;LU+

  摘要：

  DOI：

文献信息

• BICYCLOAMINE DERIVATIVES
  申请人：Ozaki Fumihiro

  公开号：US20090270369A1

  公开（公告）日：2009-10-29

  Compounds represented by formula (I) and pharmaceutically acceptable salts thereof have excellent sodium channel inhibitory action and are useful as therapeutic agents and analgesics for various kinds of neuralgia, neuropathy, epilepsy, insomnia, premature ejaculation and the like. wherein Q represents ethylene, etc., R 1 , R 2 and R 3 represent hydrogen, etc., X 1 represents C 1-6 alkylene, etc., X 2 represents C 1-6 alkylene, etc., A 1 represents a 5- to 6-membered heterocyclic group, etc., and A 2 represents C 6-14 aryl, etc.

  由式(I)表示的化合物及其药学上可接受的盐具有出色的钠通道抑制作用，并可用作治疗剂和各种神经痛、神经病、癫痫、失眠、早泄等的镇痛剂。其中Q代表乙烯等，R1、R2和R3代表氢等，X1代表C1-6烷基等，X2代表C1-6烷基等，A1代表5-至6-成员杂环基团等，A2代表C6-14芳基等。
• 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。 ______________________________________
• 1-aryltriazolin(ethi)ones
  申请人：Bayer Aktiengesellschaft

  公开号：US05476946A1

  公开（公告）日：1995-12-19

  The invention relates to new 1-aryltriazolin(ethi)ones of the general formula (I) ##STR1## in which R.sup.1 represents nitro or represents a radical --NR.sup.8 R.sup.9, R.sup.2 represents hydrogen, amino or cyano, or represents one of the radicals --R.sup.10, --O--R.sup.10, --S--R.sup.10, --NR.sup.10 R.sup.11, --N(R.sup.11)--CO--R.sup.10 or --N.dbd.CR.sup.10 R.sup.11, R.sup.3, R.sup.6 and R.sup.7 independently of one another each represent hydrogen, halogen or nitro, R.sup.4 represents hydrogen, halogen, cyano or nitro, or represents one of the radicals --R.sup.12, --O--R.sup.12, --S--R.sup.12, --S(O)--R.sup.12, --SO.sub.2 --R.sup.12, --SO--OR.sup.12, --SO--NR.sup.11 R.sup.12, --CO--OR.sup.12, --CO--NR.sup.11 R.sup.12, --O--SO.sub.2 --R.sup.12, --N(R.sup.11)--SO.sub.2 --R.sup.12, --NR.sup.11 R.sup.12, --NH--P(O)(R.sup.11)(OR.sup.12) or --NH--P(O)(OR.sup.11)(OR.sup.12), R.sup.5 represents nitro, cyano, halogen or halogenoalkyl, and X represents oxygen or sulphur, where R.sup.8 and R.sup.9 independently of one another each represent hydrogen or represent in each case optionally substituted alkyl, alkenyl, alkinyl, alkoxy, cycloalkyl, aryl or heterocyclyl, or represent, together with the nitrogen atom to which they are attached, an optionally substituted heterocycle, R.sup.10 represents in each case optionally substituted alkyl, alkenyl, alkinyl, cycloalkyl, aryl, arylalkyl or heterocyclyl, R.sup.11 represents hydrogen or represents in each case optionally substituted alkyl, alkenyl, alkinyl, cycloalkyl, arylalkyl or aryl, and R.sup.12 represents hydrogen or represents in each case optionally substituted alkyl, alkenyl, alkinyl, cycloalkyl, aryl or heterocyclyl, to a number of processes for their preparation, to a number of new intermediates, and to their use as herbicides.

  本发明涉及通式（I）的新1-芳基三唑啉（乙）酮化合物： 其中，R1表示硝基或基团—NR8R9，R2表示氢、氨基或氰基，或表示基团之一—R10、—O—R10、—S—R10、—NR10R11、—N(R11)—CO—R10或—N=CR10R11，R3、R6和R7各自独立地表示氢、卤素或硝基，R4表示氢、卤素、氰基或硝基，或表示基团之一—R12、—O—R12、—S—R12、—S(O)—R12、—SO2—R12、—SO—OR12、—SO—NR11R12、—CO—OR12、—CO—NR11R12、—O—SO2—R12、—N(R11)—SO2—R12、—NR11R12、—NH—P(O)(R11)(OR12)或—NH—P(O)(OR11)(OR12)，R5表示硝基、氰基、卤素或卤代烷基，X表示氧或硫，其中R8和R9各自独立地表示氢或分别表示可选取代的烷基、烯基、炔基、烷氧基、环烷基、芳基或杂环基，或与它们所连接的氮原子一起表示可选取代的杂环基；R10表示可选取代的烷基、烯基、炔基、环烷基、芳基、芳基烷基或杂环基；R11表示氢或表示可选取代的烷基、烯基、炔基、环烷基、芳基烷基或芳基；R12表示氢或表示可选取代的烷基、烯基、炔基、环烷基、芳基或杂环基。本发明还涉及制备这些化合物的多种方法、多种新的中间体以及它们作为除草剂的用途。
• Herbicidal substituted triazolinones
  申请人：Bayer Aktiengesellschaft

  公开号：US04931084A1

  公开（公告）日：1990-06-05

  Herbicidal substituted triazolinones of the formula ##STR1## in which R.sup.1 stands for a ##STR2## radical or for a --S(O).sub.n --R.sup.7 radical, in which R.sup.5 and R.sup.6 independently of one another in each case stand for alkyl, alkenyl, alkynyl, halogenoalkyl, halogenoalkenyl, halogenoalkynyl, alkoxyalkyl, alkoxy, cycloalkyl, cycloalkylalkyl, for in each case optionally substituted aryl, aralkyl or heteroaryl, or together with the nitrogen atom to which they are bonded, stand for an optionally substituted heterocyclic ring, R.sup.7 stands for alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl or for in each case optionally substituted aralkyl or aryl, and n stands for the number 0, 1 or 2, R.sup.2 stands for alkyl, alkenyl, alkinyl, halogenoalkyl, halogenoalkenyl, halogenoalkynyl, alkoxyalkyl, alkoxy, cycloalkylalkyl, cycloalkyl or for in each case optionally substituted aralkyl or aryl, R.sup.3 stands for hydrogen or alkyl, R.sup.4 stands for alkoximinolkyl, X stands for oxygen or sulphur and Y stands for oxygen or sulphur. New intermediates of the formula ##STR3## are also provided.

  式子中的除草剂取代的三唑酮化合物的公式为：##STR1## 其中R.sup.1代表一个##STR2##基团或--S(O).sub.n--R.sup.7基团，其中R.sup.5和R.sup.6分别独立地代表烷基、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、环烷基烷基，或在每种情况下选择性地取代芳基、芳基烷基或杂环芳基，或者与它们所结合的氮原子一起，代表一个选择性取代的杂环环，R.sup.7代表烷基、烯基、炔基、环烷基、环烷基烷基或在每种情况下选择性取代的芳基烷基或芳基，n代表数字0、1或2，R.sup.2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、环烷基烷基或在每种情况下选择性取代的芳基烷基或芳基，R.sup.3代表氢或烷基，R.sup.4代表烷氧肟烷基，X代表氧或硫，Y代表氧或硫。还提供了新的中间体的公式：##STR3##
• Heterocyclyltriazolinones
  申请人：Bayer Aktiengesellschaft

  公开号：US05395818A1

  公开（公告）日：1995-03-07

  The invention relates to novel heterocyclyltriazolinones of the general formula (I) ##STR1## in which R.sup.1 represents hydrogen, hydroxyl, cyano or alkyl, alkenyl, alkinyl, cycloalkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, arylsulphonyl, amino or heterocyclyl, each of which is optionally substituted, R.sup.2 represents hydrogen, hydroxyl, mercapto, halogen or alkyl, alkenyl, alkinyl, cycloalkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, arylalkyl, amino or heterocyclyl, each of which is optionally substituted, and Het represents an optionally substituted heterocycle of the formula ##STR2## in which X in each case represents oxygen, sulphur, an NH group or an N-alkyl group, a process for their preparation and their use as herbicides.

  本发明涉及一种新型杂环三唑酮，其通式为（I）： ##STR1## 其中，R1代表氢、羟基、氰基或烷基、烯基、炔基、环烷基、烷氧基、烷硫基、烷基磺酰基、芳基磺酰基、氨基或杂环基，每种基团均可选择性取代；R2代表氢、羟基、巯基、卤素或烷基、烯基、炔基、环烷基、烷氧基、烷硫基、烷基磺酰基、芳基烷基、氨基或杂环基，每种基团均可选择性取代；Het代表一个可选择性取代的杂环，其通式为： ##STR2## 其中，X在每种情况下均代表氧、硫、NH基团或N-烷基基团，本发明还涉及一种制备该化合物的方法以及其作为除草剂的用途。