(+)-(S)-furalaxyl | 79048-45-6

• 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)-furalaxyl
• 英文别名: furalaxyl；(S)-furalaxyl；methyl (2S)-2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate
• CAS: 79048-45-6
• 化学式: C₁₇H₁₉NO₄
• 分子量: 301.342
• InChiKey: CIEXPHRYOLIQQD-ZDUSSCGKSA-N

物化性质

• 沸点：
  420.1±45.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  糠基氯 、 N-(2,6-二甲基苯基)丙氨酸甲酯 以 甲苯 为溶剂， 反应 5.0h， 生成 (+)-(S)-furalaxyl
  参考文献：
  名称：

  精呋霜灵的合成方法

  摘要：

  本发明公开了一种精呋霜灵的合成方法，包括下列步骤：（1）L‑乳酸甲酯与R‑苯磺酰氯进行酯化反应制得TSM；（2）TSM与2,6‑二甲基苯胺进行胺化反应生成2‑（2,6‑二甲基苯基氨基）丙酸甲酯；（3）2‑（2,6‑二甲基苯基氨基）丙酸甲酯与糠酰氯缩合反应得到精呋霜灵。本发明操作方便，生产出的精呋霜灵含量为90~92%，收率90%以上。

  公开号：

  CN110804034A

文献信息

• Use of phenethyl acrylamides, novel phenethyl acrylamides, method for the production thereof and agents containing the same
  申请人：——

  公开号：US20030191190A1

  公开（公告）日：2003-10-09

  The invention relates to the use of phenethyl acrylamides of formula I for controlling phytopathogenic fungi, wherein the substituents of said phenethyl acrylamides have the following significations: X signifies halogen, alkyl, halogenalkyl, alkoxy halogenalkoxy and —O—C(R a , R b )—C≡C—R 6 ; R a , R b and R c have the signification given in the description; m, n independently signify 1 to 4, the radicals X or Y being potentially different if m or n is higher than 1; Y signifies halogen, nitro, cyano, alkyl, CF 3 , alkoxy and phenyl; R 1 , R 2 independently signify hydrogen, halogen, alkyl, alkoxy, halogenalkoxy and CF 3 ; R 3 , R 4 , R 5 , and R 6 independently signify hydrogen, alkyl and alkoxy, or R 3 and R 4 together form a cyclopropyl ring, whereby the C—R 5 and C—R 6 bonds can be in position E or Z in relation to each other. The invention also relates to novel phenethyl acrylamides, a method for the productio thereof, and agents containing the same.

  该发明涉及使用式I的苯乙基丙烯酰胺来控制植物病原真菌，其中所述苯乙基丙烯酰胺的取代基具有以下含义：X表示卤素、烷基、卤代烷基、烷氧基、卤代烷氧基和—O—C(Ra，Rb)—C≡C—R6；Ra，Rb和Rc在描述中给出了相应的含义；m，n独立地表示1到4，如果m或n大于1，则基团X或Y可能不同；Y表示卤素、硝基、氰基、烷基、三氟甲基、烷氧基和苯基；R1，R2独立地表示氢、卤素、烷基、烷氧基、卤代烷氧基和三氟甲基；R3，R4，R5和R6独立地表示氢、烷基和烷氧基，或者R3和R4一起形成环丙基环，其中C—R5和C—R6键可以在彼此之间的位置E或Z。该发明还涉及新型苯乙基丙烯酰胺、其生产方法以及含有该化合物的制剂。
• (Hetero)Cyclycarboxamides for Controlling Pathogenic Fungi
  申请人：Gewehr Markus

  公开号：US20070275981A1

  公开（公告）日：2007-11-29

  The invention relates to the use of (hetero)cyclylcarboxamides of general formula (I) and to the agriculturally useful salts thereof for controlling plant pathogenic fungi, the variables in formula (I) having the following designations: A represents phenyl or an at least monosaturated five-membered or six-membered heterocycle with 1, 2 or 3 heteroatoms as ring members selected from N, O, S, S(═O) and S(═O) 2 , where phenyl and the at least monosaturated five-membered or six-membered heterocycle can be unsubstituted or substituted according to the description; Y represents oxygen or sulphur; R 1 represents H, OH, alkyl, cycloalkyl, alkoxy, halogenalkyl, halogencycloalkyl or halogenalkoxy; R 2 and R 3 represent H, halogen, nitro, CN, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; R 4 represents halogen, nitro, CN, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; R 5 represents hydrogen, halogen, nitro, CN, OH, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, alkenyloxy, alkinyloxy, alkoxyalkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; alklthio, halogenalkylthio, alkylsulfinyl, halogenalkylsulfinyl, alkylsulfonyl, halogenalkylsulfonyl, —(CR 6 )═NOR 7 , —C(O)R 8 , NR 9 R 10 , —C(O)NR 9 R 10 , —C(S)NR 9 R 10 , phenyl or phenylalkyl, the phenyl ring in the last two radicals optionally comprising between 1 and 4 of the radicals cited for R 4 ; R 6 , R 7 , R 8 , R 9 and R 10 have the designations cited in the description; the two radicals R 4 and R 5 bound to adjacent carbon atoms can also represent an alkylene chain with 3 to 5 members, wherein 1 or 2 non-adjacent CH 2 groups can also be replaced by O or S, and part or all of the hydrogens can be replaced by halogen; Ar represents phenyl, naphtyl or a five-membered or six-membered heteroaromatic radical with 1, 2 or 3 heteroatoms as ring members selected from N, O, and S, that can optionally also carry a fused benzene ring; and n represents 0, 1, 2, 3, or 4. The invention also relates to crop protection agents containing said compounds.

  该发明涉及使用一般式（I）的（杂）环戊酰胺及其在农业上有用的盐来控制植物病原真菌，式（I）中的变量具有以下符号：A代表苯或至少含有1、2或3个杂原子（N、O、S、S(═O)和S(═O)2）的五元环或六元环，其中苯和至少含有1个杂原子的五元环或六元环可以按照说明未取代或取代；Y代表氧或硫；R1代表H、OH、烷基、环烷基、烷氧基、卤代烷基、卤代环烷基或卤代烷氧基；R2和R3代表H、卤素、硝基、CN、烷基、环烷基、烯基、炔基、烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；R4代表卤素、硝基、CN、烷基、环烷基、烯基、炔基、烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；R5代表氢、卤素、硝基、CN、OH、烷基、环烷基、烯基、炔基、烷氧基、烯基氧基、炔基氧基、烷氧基烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；alklthio、卤代烷硫基、烷基磺酰基、卤代烷磺酰基、烷基磺酰基、卤代烷磺酰基、—(CR6)═NOR7、—C(O)R8、NR9R10、—C(O)NR9R10、—C(S)NR9R10、苯或苯基烷基，最后两个基团中的苯环可以选择包含1到4个R4中列出的基团；R6、R7、R8、R9和R10具有说明中列出的符号；相邻碳原子上结合的两个基团R4和R5也可以代表具有3到5个成员的烷基链，其中1或2个非相邻的CH2基团也可以被O或S替换，部分或全部氢原子可以被卤素取代；Ar代表苯、萘或具有1、2或3个杂原子（N、O和S）的五元环或六元环杂芳基，也可以携带一个融合的苯环；n代表0、1、2、3或4。该发明还涉及含有上述化合物的作物保护剂。
• Fungicidal triazolopyrimidines, method for the production thereof and use thereof in controlling noxious fungi and agents containing said compounds
  申请人：Muller Bernd

  公开号：US20050090665A1

  公开（公告）日：2005-04-28

  Triazolopyrimidines of formula (I), wherein the index and substituents have the following meaning: n=0 or a whole number of 1-5; R=halogen, cyano, hydroxy, cyanate, alkyl, alkenyl, alkinyl, halogenalkyl, halogenalkenyl, alkoxy, alkenyloxy, alkinyloxy, halogenalkoxy, cycloalkyl, cycloalkenyl, cycloalkoxy, alkoxycarbonyl, alkenyloxycarbonyl, alkinyloxycarbonyl, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkoximinoalkyl, alkenyloximinocarbonyl, alkinyloximinoalkyl, alkylcarbonyl, alkenylcarbonyl, alkinylcarbonyl, cycloalkylcarbonyl or a five to ten membered saturated, partially unsaturated or aromatic heterocycle, containing one to four heteroatoms from the group O, N or S; R 1 =alkyl, alkenyl, alkinyl, cycloalkyl, cycloalkenyl, phenyl, naphthyl or a five to ten membered saturated, partially unsaturated or aromatic heterocycle, containing one to four heteroatoms from the group O, N or S, R and/or R 1 being able to be substituted according to the description; R 2 =alkyl, alkenyl or alkinyl which can be substituted by halogen, cyano, nitro, alkoxy or alkoxycarbonyl. The invention also relates to a method for the production of said compounds, agents containing same, and the use thereof in controlling noxious fungi.

  公式（I）的三唑吡咯啉，其中指数和取代基的含义如下：n=0或1-5的整数；R=卤素、氰基、羟基、氰酸酯、烷基、烯基、炔基、卤代烷基、卤代烯基、烷氧基、烯氧基、炔氧基、卤代烷氧基、环烷基、环烯基、环烷氧基、烷氧羰基、烯氧羰基、炔氧羰基、氨基羰基、烷基氨基羰基、二烷基氨基羰基、烷氧基亚胺烷基、烯氧亚胺羰基、炔氧亚胺烷基、烷基羰基、烯基羰基、炔基羰基、环烷基羰基或含有来自O、N或S组的一到四个杂原子的五至十元饱和、部分不饱和或芳香杂环；R1=烷基、烯基、炔基、环烷基、环烯基、苯基、萘基或含有来自O、N或S组的一到四个杂原子的五至十元饱和、部分不饱和或芳香杂环，R和/或R1可以根据描述被取代；R2=烷基、烯基或炔基，可以被卤素、氰基、硝基、烷氧基或烷氧羰基取代。该发明还涉及所述化合物的制备方法、含有其的药剂以及在控制有害真菌中的应用。
• Iminooxy-substituted benzyl phenyl ethers, processes and intermediates for their preparation, compositions comprising them, and their use for controlling harmful fungi
  申请人：——

  公开号：US20020082303A1

  公开（公告）日：2002-06-27

  Iminooxy-substituted benzyl phenyl ethers of the formula I 1 in which the substituents and the index are as defined below: Y is H, CH 3 , F or Cl; Q is C(═CHOCH 3 )—COOCH 3 , C(═CHCH 3 )—COOCH 3 , C(═NOCH 3 )—COOCH 3 , C(═NOCH 3 )—CONHCH 3 or N(—OCH 3 )—COOCH 3 ; X is hydrogen, halogen, alkyl, alkoxy or CF 3 ; m is 1 or 2, where the radicals X may be different if m=2; R 1 is alkyl and R 2 is hydrogen or alkyl; or R 1 and R 2 together are cyclopropyl, cyclopentyl or cyclohexyl; R 3 is alkyl or CF 3 ; and R 4 is alkyl, alkenyl, alkynyl, haloalkyl, haloalkenyl or haloalkynyl; processes and intermediates for their preparation, compositions comprising them, and their use, are described.

  I1式中的Iminooxy取代苯基苯醚，其中取代基和指数如下所定义：Y为H、CH3、F或Cl；Q为C(═CHOCH3)—COOCH3、C(═CHCH3)—COOCH3、C(═NOCH3)—COOCH3、C(═NOCH3)—CONHCH3或N(—OCH3)—COOCH3；X为氢、卤素、烷基、烷氧基或CF3；m为1或2，当m=2时，基团X可以不同；R1为烷基，R2为氢或烷基；或者R1和R2一起为环丙基、环戊基或环己基；R3为烷基或CF3；R4为烷基、烯基、炔基、卤代烷基、卤代烯基或卤代炔基；描述了它们的制备方法、中间体、包含它们的组合物以及它们的用途。
• Enantioselective Acute Toxicity Effects and Bioaccumulation of Furalaxyl in the Earthworm (<i>Eisenia foetida</i> )
  作者：Fang Qin、Yongxin Gao、Baoyuan Guo、Peng Xu、Jianzhong Li、Huili Wang

  DOI：10.1002/chir.22323

  日期：2014.6

  respectively. Therefore, the acute toxicity of furalaxyl enantiomers was enantioselective. During the bioaccumulation experiment, the enantiomer fraction of furalaxyl in earthworm tissue was observed to deviate from 0.50 and maintained a range of 0.55–0.60; in other words, the bioaccumulation of furalaxyl was enantioselective in earthworm tissue with a preferential accumulation of S‐furalaxyl. The uptake kinetic

  研究了呋喃甲酰基各对映体在acute（Eisenia foetida）的急性毒性和生物积累中的对映选择性。急性毒性通过滤纸接触试验进行测试。暴露48小时后，R形，rac形和S形的LC 50计算值分别为2.27、2.08和1.22 µg cm -2。暴露72 h后，计算出的LC 50值为1.90、1.54和1.00 µg cm -2， 分别。因此，呋喃唑基对映异构体的急性毒性是对映选择性的。在生物富集实验中，worm组织中呋喃草酯的对映异构体分数偏离了0.50，并保持在0.55-0.60的范围内。换句话说，在ala组织中呋喃草酰的生物富集是对映选择性的，而S-呋喃草酯则优先积累。呋喃基对映体的吸收动力学符合一级动力学，计算的动力学参数与低累积效率相吻合。手性26：307–312，2014。©2014 Wiley Periodicals，Inc.