(-)-S-tetraconazole | 131320-42-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (-)-S-tetraconazole
• 英文别名: (-)-Tetraconazole；1-[(2S)-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
• CAS: 131320-42-8
• 化学式: C₁₃H₁₁Cl₂F₄N₃O
• 分子量: 372.149
• InChiKey: LQDARGUHUSPFNL-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-ol 在 氢氧化钾 作用下， 生成 (-)-S-tetraconazole
  参考文献：
  名称：

  Bianchi, Daniele; Cesti, Pietro; Golini, Paolo, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 1, p. 176 - 180

  摘要：

  DOI：

文献信息

• 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。
• Enantioselective determination of triazole fungice tetraconazole by chiral high-performance liquid chromatography and its application to pharmacokinetic study in cucumber, muskmelon, and soils
  作者：Jing Li、Fengshou Dong、Jun Xu、Xingang Liu、Yuanbo Li、Weili Shan、Yongquan Zheng

  DOI：10.1002/chir.21997

  日期：2012.4

  successfully applied to the study of enantioselective degradation of rac‐tetraconazole in cucumber, muskmelon, and soils. The results showed that the degradation of two enantiomers of tetraconazole followed first‐order kinetics and significantly stereoselective behavior was observed in cucumber, muskmelon, and Beijing soil. The preferential absorption and degradation of (−)‐S‐tetraconzole resulted in an enrichment

  开发了一种简单的具有二极管阵列检测器的手性高效液相色谱方法，并已验证可用于立体选择性测定黄瓜，香瓜和土壤中的四康唑对映体。良好的分离在20实现℃下使用纤维素三（4-甲基苯甲酸酯）作为手性固定相的混合物，Ñ以0.8毫升/分钟的流速-己烷和乙醇（90:10）作为流动相。该测定方法在一定浓度范围（0.5–50μg/ ml）内呈线性，两种对映体的平均回收率均在85％以上。植物和土壤样品中两种对映体的检出限分别为0.06和0.12μg/ g。将该方法成功地应用于rac的对映选择性降解研究。黄瓜，甜瓜和土壤中的四康唑。结果表明，在黄瓜，甜瓜和北京土壤中，四康唑的两种对映体的降解遵循一级动力学，并且具有明显的立体选择性。（-）- S-四康唑的优先吸收和降解导致植物样品中的（+）- R-四康唑残基富集，而（+）- R-四康唑在北京土壤中显示出更快的降解和立体选择性可能是由微生物引起的。在黑龙江土壤中未观察
• 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。
• OPTICALLY ACTIVE METHOXYIMINOACETAMIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM, INTERMEDIATES THEREFOR, AND PESTICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP0949243A1

  公开（公告）日：1999-10-13

  An optically active methoxyiminoacetamide derivative represented by the following general formula (I) (in the above general formula, Ar represents an aryl group or a heteroaryl group, Y represents a hydrogen atom, a halogen atom, a C1-C4 alkyl group, a C1-C4 haloalkyl group, a C1-C4 alkoxy group, a C1-C4 haloalkoxy group, a C1-C4 alkylthio group, a C2-C6 alkynyloxy group, a cyano group, a nitro group or an aryl group and n is an integer of 1 to 3), wherein its angle of rotation shows a negative value in chloroform has markedly excellent activities as agricultural chemicals.

  由以下通式（I）代表的光学活性甲氧基亚氨基乙酰胺衍生物 (在上述通式中，Ar 代表芳基或杂芳基，Y 代表氢原子、卤素原子、C1-C4 烷基、C1-C4 卤代烷基、C1-C4 烷氧基、C1-C4 卤代烷氧基、C1-C4 烷硫基、C2-C6 炔氧基、氰基、硝基或芳基，n 为 1 至 3 的整数），其中它在氯仿中的旋转角为负值，具有明显优异的农用化学品活性。
• INSECTICIDAL AND ACARICIDAL AGENTS
  申请人：Agro-Kanesho Co., Ltd.

  公开号：EP1219173A1

  公开（公告）日：2002-07-03

  The present invention provides an insecticidal or acaricidal agent having an excellent pesticidal effect and a high safety. Namely, the present invention resides in an insecticidal or acaricidal agent comprising, as an active ingredient, a pyrazolyl derivative of the following general formula (I): 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: -(G1)n-G2-(G1)m- wherein G1 represents an oxygen atom, a sulfur atom, a sulfinyl group or a sulfonyl group, G2 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: -CH2-O-N=C(R3)-wherein R3 represents a hydrogen atom, an alkyl group or a haloalkyl group; or a group of the formula: -CH=N-O-(CR3R4)n- wherein R3 and R4 each represents a hydrogen atom, an alkyl group or a haloalkyl group; and n is 0 or 1, R1 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, R2 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-(G3)n-G4 wherein G3 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-G4 wherein G4 represents an alkyl group or a haloalkyl group; or a group of the formula: -N(R5)CO2G5 wherein R5 represents an alkyl group, an alkenyl group, an alkynyl group, an alkylthioalkyl group or an alkoxyalkyl group, and G5 represents an alkyl group.

  本发明提供了一种杀虫或杀螨剂，具有极佳的杀虫效果和极高的安全性。即，本发明涉及一种杀虫或杀螨剂，其活性成分包括以下通式（I）的吡唑衍生物： 式中 A 代表氢原子；可被取代的烷基；可被取代的烯基；可被取代的炔基；被烷基和/或 芳基取代的三取代硅烷基；可被取代的芳基；或可被取代的杂环基； B 代表单键；式中的基团：-(G1)n-G2-(G1)m-，其中 G1 代表氧原子、硫原子、亚砜基或磺酰基，G2 代表亚烯基、亚烯基或亚炔基，n 和 m 互不相关，代表 0 或 1；羰基；式中的基团：-CH2-O-N=C(R3)-其中 R3 代表氢原子、烷基或卤代烷基；或式中的基团：-CH=N-O-(CR3R4)n-，其中 R3 和 R4 分别代表氢原子、烷基或卤代烷基；且 n 为 0 或 1，R1 代表氢原子、卤素原子、可被取代的烷基、可被取代的烯基、可被取代的炔基或卤代烷基；R2 代表氢原子、烷基、卤代烷基或可被取代的芳基，D 代表式中的一个基团：-其中 X 代表羟基、烷氧基或烷基氨基，Y 代表式中的一个基团：CH-(G3)n-G4，其中 G3 代表氧原子或硫原子，G4 代表烷基或卤代烷基，且 n 代表 0 或 1，代表式中的一个基团：N-O-G4，其中 G4 代表烷基或卤代烷基；或式中的基团：-N(R5)CO2G5，其中 R5 代表烷基、烯基、炔基、烷硫基或烷氧烷基，G5 代表烷基。