(2-ethyl-5-methyl-2H-pyrazol-3-yl)-acetic acid methyl ester | 331237-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2-ethyl-5-methyl-2H-pyrazol-3-yl)-acetic acid methyl ester
• 英文别名: (2-ethyl-5-methyl-2H-pyrazol-3-yl)acetic acid methyl ester；methyl 1-ethyl-3-methylpyrazole-5-ylacetate；methyl 2-(2-ethyl-5-methylpyrazol-3-yl)acetate
• CAS: 331237-45-7
• 化学式: C₉H₁₄N₂O₂
• 分子量: 182.222
• InChiKey: PRSAZYHWHDGWHO-UHFFFAOYSA-N

物化性质

• 沸点：
  266.1±25.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  (2-ethyl-5-methyl-2H-pyrazol-3-yl)-acetic acid methyl ester 在 吡啶 、 氨 、 三氟乙酸酐 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 24.0h， 生成 (2-乙基-5-甲基-2H-吡唑-3-基)-乙腈
  参考文献：
  名称：

  PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  公开号：

  EP2013209B1
• 作为产物：
  描述：

  isopropilydene (1-hydroxy-3-oxo-butylidene) malonate 在 对甲苯磺酸 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 3.33h， 生成 (2-ethyl-5-methyl-2H-pyrazol-3-yl)-acetic acid methyl ester
  参考文献：
  名称：

  PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  公开号：

  EP2013209B1

文献信息

• PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20090099228A1

  公开（公告）日：2009-04-16

  The invention relates to novel pyrazolo-tetrahydropyridines compounds and their use as orexin receptor antagonists.

  这项发明涉及新型吡唑并四氢吡啶化合物及其作为促进睡眠的受体拮抗剂的用途。
• Insecticidal and acaricidal composition, and methods of using the same
  申请人：AGRO-KANESHO CO., LTD.

  公开号：US20020156115A1

  公开（公告）日：2002-10-24

  The present invention provides an insecticidal or acaricidal composition having an excellent pesticidal effect and a high safety, containing, as an active ingredient, a pyrazolyl compound of the following general formula (I): 1 wherein A represents a hydrogen atom; an alkyl group which may be substituted; an alkenyl group which may be substituted; an alkynyl group which may be substituted; a tri-substituted silyl group substituted with an alkyl group and/or an aryl group: an aryl group which may be substituted; or a heterocyclic group which may be substituted; B represents a single bond; a group of the formula: —(G 1 ) n —G 2 —(G 1 ) m — wherein G 1 represents an oxygen atom, a sulfur atom, a sulfinyl group or a sulfonyl group, G 2 represents an alkylene group, an alkenylene group or an alkynylene group, and n and m are independent from each other and represent 0 or 1; carbonyl group; a group of the formula: —CH 2 —O—N═C(R 3 )— wherein R 3 represents a hydrogen atom, an alkyl group or a haloalkyl group; or a group of the formula: —CH═N—O—(CR 3 R 4 ) n — wherein R 3 and R 4 each represents a hydrogen atom, an alkyl group or a haloalkyl group; and n is 0 or 1, R 1 represents a hydrogen atom; a halogen atom, an alkyl group which may be substituted; an alkenyl group which may be substituted; an alkynyl group which may be substituted; an alkoxyl group which may be substituted; or an aryl group which may be substituted, R 2 represents a hydrogen atom; an alkyl group; a haloalkyl group; or an aryl group which may be substituted, and D represents a group of the formula: —C(═Y)COX wherein X represents a hydroxyl group, an alkoxyl group or an alkylamino group, Y represents a group of the formula: CH—(G 3 ) n —G 4 — wherein G 3 represents an oxygen atom or a sulfur atom, G 4 represents an alkyl group or a haloalkyl group, and n represents 0 or 1, a group of the formula: N—O—G 4 wherein G 4 represents an alkyl group or a haloalkyl group; or a group of the formula: —N(R 5 )CO 2 G 5 wherein R 5 represents an alkyl group, an alkenyl group, an alkynyl group, an alkylthioalkyl group or an alkoxyalkyl group, and G 5 represents an alkyl group.

  本发明提供了一种具有优异杀虫或杀螨效果且具有高安全性的杀虫剂或杀螨剂组合物，其包含以下通式（I）的吡唑基化合物作为活性成分：其中A代表氢原子；可以被取代的烷基基团；可以被取代的烯基基团；可以被取代的炔基基团；取代的三取代硅基团，取代的烷基基团和/或芳基团；可以被取代的芳基团；或可以被取代的杂环基团；B代表单键；具有以下结构的基团：—（G1）n—G2—（G1）m—其中G1代表氧原子、硫原子、亚硫酰基或磺酰基，G2代表烷基基团、烯基基团或炔基基团，n和m是独立的，表示0或1；羰基基团；具有以下结构的基团：—CH2—O—N═C(R3)—其中R3代表氢原子、烷基基团或卤代烷基基团；或具有以下结构的基团：—CH═N—O—（CR3R4）n—其中R3和R4各自代表氢原子、烷基基团或卤代烷基基团；n为0或1，R1代表氢原子；卤素原子、可以被取代的烷基基团；可以被取代的烯基基团；可以被取代的炔基基团；可以被取代的烷氧基基团；或可以被取代的芳基团；R2代表氢原子；烷基基团；卤代烷基基团；或可以被取代的芳基团，D代表以下结构的基团：—C(═Y)COX，其中X代表羟基、烷氧基或烷基氨基，Y代表结构：CH—（G3）n—G4—其中G3代表氧原子或硫原子，G4代表烷基基团或卤代烷基基团，n代表0或1，具有以下结构的基团：N—O—G4其中G4代表烷基基团或卤代烷基基团；或具有以下结构的基团：—N(R5)CO2G5其中R5代表烷基基团、烯基基团、炔基基团、烷基硫基基团或烷氧基烷基基团，G5代表烷基基团。
• Insecticidal and acaricidal agent
  申请人：AGRO-KANESHO CO., LTD.

  公开号：US20030191171A1

  公开（公告）日：2003-10-09

  The present invention provides an insecticidal or acaricidal composition having an excellent pesticidal effect and a high safety, containing, as an active ingredient, a pyrazolyl compound of the following general formula (I): 1 wherein A represents a hydrogen atom; an alkyl group which may be substituted; an alkenyl group which may be substituted; an alkynyl group which may be substituted; a tri-substituted silyl group substituted with an alkyl group and/or an aryl group: an aryl group which may be substituted; or a heterocyclic group which may be substituted; B represents a single bond; a group of the formula: -(G 1 ) n -G 2 -(G 1 ) m - wherein G 1 represents an oxygen atom, a sulfur atom, a sulfinyl group or a sulfonyl group, G 2 represents an alkylene group, an alkenylene group or an alkynylene group, and n and m are independent from each other and represent 0 or 1; carbonyl group; a group of the formula: —CH 2 —O—N═C(R 3 )— wherein R 3 represents a hydrogen atom, an alkyl group or a haloalkyl group; or a group of the formula: —CH═N—O—(CR 3 R 4 ) n — wherein R 3 and R 4 each represents a hydrogen atom, an alkyl group or a haloalkyl group; and n is 0 or 1, R 1 represents a hydrogen atom; a halogen atom, an alkyl group which may be substituted; an alkenyl group which may be substituted; an alkynyl group which may be substituted; an alkoxyl group which may be substituted; or an aryl group which may be substituted, R 2 represents a hydrogen atom; an alkyl group; a haloalkyl group; or an aryl group which may be substituted, and D represents a group of the formula: —C(═Y)COX wherein X represents a hydroxyl group, an alkoxyl group or an alkylamino group, Y represents a group of the formula: CH-(G 3 ) n -G 4 - wherein G 3 represents an oxygen atom or a sulfur atom, G4 represents an alkyl group or a haloalkyl group, and n represents 0 or 1, a group of the formula: N—O-G 4 wherein G 4 represents an alkyl group or a haloalkyl group; or a group of the formula: —N(R 5 )CO 2 G 5 wherein R 5 represents an alkyl group, an alkenyl group, an alkynyl group, an alkylthioalkyl group or an alkoxyalkyl group, and G 5 represents an alkyl group.

  本发明提供了一种具有优异的杀虫或杀螨效果和高安全性的杀虫剂或杀螨剂组合物，其包含以下通式（I）的吡唑基化合物作为活性成分：其中，A表示氢原子；可以被取代的烷基基团；可以被取代的烯基基团；可以被取代的炔基基团；被取代的三取代硅基团，其被取代的基团为烷基和/或芳基；可以被取代的芳基基团；或可以被取代的杂环基团；B表示单键；一个式子的基团：-(G1)n-G2-(G1)m-，其中，G1表示氧原子、硫原子、亚砜基或磺酰基，G2表示烷基、烯基或炔基，n和m是独立的，表示0或1；羰基基团；一个式子的基团：—CH2—O—N═C(R3)—，其中，R3表示氢原子、烷基或卤代烷基；或一个式子的基团：—CH═N—O—(CR3R4)n—，其中，R3和R4分别表示氢原子、烷基或卤代烷基；n为0或1；R1表示氢原子；卤原子、可以被取代的烷基基团；可以被取代的烯基基团；可以被取代的炔基基团；可以被取代的烷氧基；或可以被取代的芳基基团；R2表示氢原子；烷基；卤代烷基；或可以被取代的芳基基团；D表示一个式子的基团：—C(═Y)COX，其中，X表示羟基、烷氧基或烷基氨基基团，Y表示一个式子的基团：CH-(G3)n-G4-，其中，G3表示氧原子或硫原子，G4表示烷基或卤代烷基，n表示0或1；一个式子的基团：N—O-G4，其中，G4表示烷基或卤代烷基；或一个式子的基团：—N(R5)CO2G5，其中，R5表示烷基、烯基、炔基、烷硫基烷基或烷氧基烷基，G5表示烷基。
• 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Aissaoui Hamed

  公开号：US20100029617A1

  公开（公告）日：2010-02-04

  The invention relates to 1,4,5,6,7,8-hexahydro-1,2,5-triaza-azulene derivatives and their use as orexin receptor antagonists.

  该发明涉及1,4,5,6,7,8-六氢-1,2,5-三氮杂-蓝花烷衍生物及其作为脑下垂体前叶皮质激素受体拮抗剂的用途。
• Pyrazolo-tetrahydro pyridine derivatives as orexin receptor antagonists
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US07834028B2

  公开（公告）日：2010-11-16

  The invention relates to novel pyrazolo-tetrahydropyridines compounds and their use as orexin receptor antagonists.

  本发明涉及新型的吡唑四氢吡啶化合物及其用作促进睡眠荷尔蒙受体拮抗剂。