ethyl 1-methyl-3-chloro-pyrazole-4-carboxylate | 118197-42-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-methyl-3-chloro-pyrazole-4-carboxylate
• 英文别名: ethyl 3-chloro-1-methylpyrazole-4-carboxylate；Ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate
• CAS: 118197-42-5
• 化学式: C₇H₉ClN₂O₂
• 分子量: 188.614
• InChiKey: KADJPZFGDNHJES-UHFFFAOYSA-N

物化性质

• 沸点：
  268.4±20.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 1-methyl-3-chloro-pyrazole-4-carboxylate 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 3-氯-5-氨基磺酰基-1-甲基吡唑-4-甲酸乙酯
  参考文献：
  名称：

  吡唑-5-磺酰胺衍生物的简便合成†

  摘要：

  5-未取代的吡唑2a-k与二异丙基氨基锂或正丁基锂的反应产生了中间体5-lithiopyrazoles，其与二氧化硫的反应得到了吡唑-5-亚磺酸锂3a-k。3a-k随后与N-氯代琥珀酰亚胺反应，然后进行氨解，得到吡唑-5-磺酰胺5a-k。

  DOI：

  10.1002/jhet.5570280808
• 作为产物：
  描述：

  3-氨基-1-甲基-吡唑-4-羧酸乙酯 生成 ethyl 1-methyl-3-chloro-pyrazole-4-carboxylate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Selective fluorination of ethyl 1-methylpyrazole-4-carboxylates with poly(hydrogen fluoride)-amine complex under electrolytic anodic oxidation
  作者：Kenzi Makino、Hirosuke Yoshioka

  DOI：10.1016/s0022-1139(00)81615-2

  日期：1988.6

  Fluorination of ethyl 1-methylpyrazole-4-carboxylate (1a) and its 3-chloro analogue (1b) with poly(hydrogen fluoride)-pyridine-triethylamine complex under electrolytic anodic oxidation yielded new ethyl 1-methyl-5-fluoropyrazole-4-carboxylate (2a), ethyl 1-fluoromethyl-5-fluoropyrazole-4-carboxylate (3a) and their 3-chloro analogues (2b) and (3b). Major factors controlling selectivities and yields

  在电解阳极氧化条件下，用聚氟化氢-吡啶-三乙胺络合物氟化1-甲基吡唑-4-羧酸乙酯（1a）及其3-氯类似物（1b），得到新的乙基1-甲基-5-氟吡唑-4-羧酸盐（2a），1-氟甲基-5-氟吡唑-4-羧酸乙酯（3a）及其3-氯类似物（2b）和（3b）。描述了控制氟化吡唑-4-羧酸盐的选择性和收率的主要因素。
• N-pyrazolyl-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides
  申请人：DowElanco

  公开号：US05201938A1

  公开（公告）日：1993-04-13

  N-(3-, 4-, and 5-)-pyrazolyl-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide compounds, substituted on the pyrimidine ring with an alkoxy group and on the pyrazine ring, such as N-(4-bromo-1-methylpyrazol-3-yl)-7-chloro-5-methoxy-1,2,4-triazolo[1,5-c]p yrimidine-2-sulfonamide, were prepared from alkoxy substituted 1,2,4-triazolo[1,5-c]-pyrimidine-2-sulfonyl halides by condensation with substituted (3-, 4-, and 5-aminopyrazoles in the presence of a pyridine base and a catalytic amount of dimethyl sulfoxide. The compounds were found to possess general and, in some cases, selective pre- and postemergence herbicidal activity.

  N-(3-, 4-, 和 5-)-吡唑基-1,2,4-三唑并[1,5-c]嘧啶-2-磺酰胺类化合物，在嘧啶环上用烷氧基取代，在吡嗪环上用烷氧基取代，例如N-(4-溴-1-甲基吡唑-3-基)-7-氯-5-甲氧基-1,2,4-三唑并[1,5-c]嘧啶-2-磺酰胺，是通过烷氧基取代的1,2,4-三唑并[1,5-c]-嘧啶-2-磺酰卤化物与取代的(3-, 4-, 和 5-氨基吡唑在吡啶碱和少量二甲基亚砜的存在下缩合而成。这些化合物被发现具有一般的，有时是选择性的前期和后期除草活性。
• Pyrazolesulfonylurea useful for controlling the growth of undesired
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US04668277A1

  公开（公告）日：1987-05-26

  There are disclosed a compound formula (I): ##STR1## wherein R.sup.1 represents a chlorine atom or a bromine atom; R.sup.2 represents methyl or ethyl; and X represents methyl or methoxy; a herbicidal composition containing the same as an active ingredient; and a method of use of the compound represented by formula (I) for controlling the growth of weeds without harm to crop plants in the same location.

  揭示了一种化合物公式（I）：##STR1## 其中R.sup.1代表氯原子或溴原子；R.sup.2代表甲基或乙基；X代表甲基或甲氧基；一种含有该化合物作为活性成分的除草剂组合物；以及一种利用公式（I）代表的化合物控制杂草生长而不对同一位置的作物植物造成伤害的方法。
• 5,6-dihydro-(1,4,2)-Dioxazin-substituted (hetero) aryl-(oxy-, imino-, alkyl-)-sulphonylamino(thio)carbonyl-heterocyclyl derivatives, their preparation and their use as herbicides
  申请人：Bayer Aktiengesellschaft

  公开号：US06200931B1

  公开（公告）日：2001-03-13

  The invention relates to novel substituted sulphonylamino(thio)carbonyl compounds of the formula (I) in which A represents a single bond, represents oxygen, imino (NH), alkanediyl (alkylene) or alkylimino (N-alkyl), J represents a (hetero)aryl grouping selected from the series phenyl, pyridyl, pyrazolyl, thienyl which is substituted by a 5,6-dihydro-[1,4,2]-dioxazin-3-yl group (which may for its part be substituted by halogen, alkyl or halogenoalkyl) and optionally by one or two further radicals selected from the series cyano, halogeno, alkyl, halogenoalkyl, phenyl, pyridyl, Q represents oxygen or sulphur and, R represents optionally substituted heterocyclyl having 5 ring members of which at least one is oxygen, sulphur or nitrogen and one to three more may be nitrogen, and salts of compounds of the formula (I), processes and specific novel intermediates for their preparation and their use as herbicides.

  该发明涉及一种新型的取代磺酰胺(硫)羰基化合物，其化学式为(I)，其中A代表单键，代表氧、亚胺(NH)、烷二基(烷基)或烷基亚胺(N-烷基)，J代表从苯基、吡啶基、吡唑基、噻吩基等系列中选择的(杂)芳基团，该团经过取代而含有5,6-二氢-[1,4,2]-二噁嗪-3-基团(该基团本身可能被卤素、烷基或卤代烷基取代)，并且可选地还含有来自氰基、卤代基、烷基、卤代烷基、苯基、吡啶基的一个或两个进一步基团，Q代表氧或硫，R代表可选地取代的具有5个环成员的杂环烷基，其中至少一个是氧、硫或氮，另外一到三个可能是氮，并且化合物(I)的盐，以及其制备的过程和特定新型中间体及其作为除草剂的用途。
• Pyrazolesulfonylurea amides and chlorides
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US04689417A1

  公开（公告）日：1987-08-25

  The present invention provides novel compounds which are intermediates in the production of the compounds of the formula (I). These novel intermediates have the following general formula ##STR1## wherein Z is NH.sub.2 or chlorine, R.sup.1 is chlorine or bromine and R.sup.2 is methyl or ethyl.

  本发明提供了一种新的化合物，它们是制备式(I)化合物的中间体。这些新的中间体具有以下一般式：##STR1## 其中Z是NH.sub.2或氯，R.sup.1是氯或溴，R.sup.2是甲基或乙基。