Methyl 2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate | 115199-26-3

• 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: Methyl 2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate
• 英文别名: methyl (2Z)-2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetate
• CAS: 115199-26-3
• 化学式: C₁₁H₁₂BrNO₃
• 分子量: 286.12
• InChiKey: LDPXOYHMGOQPIV-RAXLEYEMSA-N

物化性质

• 沸点：
  343.7±44.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险类别：
  4.1
• 危险性防范说明：
  P210,P240,P241,P280,P370+P378
• 危险品运输编号：
  1325
• 危险性描述：
  H228
• 包装等级：
  III

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate 生成 methyl (2Z)-2-[2-[(2-chlorophenyl)sulfanylmethyl]phenyl]-2-methoxyiminoacetate
  参考文献：
  名称：

  WINGERT, HORST;BRAND, SIEGBERT;WENDEROTH, BERND;SCHUTZ, FRANZ;SAUTER, HUB+

  摘要：

  DOI：
• 作为产物：
  描述：

  (Z)-2-(2-tolyl)-2-methoxyiminoacetic acid methyl ester 、 四氯化碳 、 溴 生成 Methyl 2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate
  参考文献：
  名称：

  WINGERT, HORST;BRAND, SIEGBERT;WENDEROTH, BERND;SCHUTZ, FRANZ;SAUTER, HUB+

  摘要：

  DOI：

文献信息

• [EN] AN IMPROVED PROCESS FOR THE SYNTHESIS OF STROBILURIN FUNGICIDES VIZ TRIFLOXYSTROBIN AND KRESOXIM-METHYL<br/>[FR] PROCÉDÉ AMÉLIORÉ DE SYNTHÈSE DE FONGICIDES DE STROBILURINE C'EST-À-DIRE DE TRIFLOXYSTROBINE ET DE KRÉSOXIM-MÉTHYL
  申请人：RALLIS INDIA LTD

  公开号：WO2013144924A1

  公开（公告）日：2013-10-03

  The present invention relates to an improved process for the synthesis of E-isomer of compound of formula (5). It further relates to the conversion of formula (5), wherein R is H, to Intermediate (I) and subsequently to substantially pure Trifloxystrobin, compound of formula (I) in good yield.

  本发明涉及一种改进的合成E-异构体化合物的方法，其化学式为（5）。它进一步涉及将化学式（5）中的R为H的化合物转化为中间体（I），然后高收率地转化为几乎纯的三氟氧化斯特罗宾，化合物的化学式为（I）。
• Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides
  申请人：ROHM AND HAAS COMPANY

  公开号：EP1024135A1

  公开（公告）日：2000-08-02

  Compounds with fungicidal and insecticidal properties having formula:    wherein X is N or CH; Y is O, S, or NR7; A is selected from the group consisting of hydrogen, halo, cyano, (C1-C12)alkyl, and (C1-C12)alkoxy; R1 and R8 are each independently selected from the group consisting of hydrogen, and (C1-C4)alkyl; R2 is selected from the group consisting of hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, aryl, aralkyl, heterocyclic, heterocyclic(C1-C4)alkyl, and C(R10)=N-OR9; R3 is selected from the group consisting of aryl, aralkyl, heterocyclic and heterocyclic(C1-C4)alkyl; R4 and R5 are each independently selected from the group consisting of hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, halo, cyano, and (C1-C4)alkoxycarbonyl; R6 and R7 are each independently selected from the group consisting of hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, (C1-C4)alkoxy(C1-C12)alkyl, halo(C1-C4)alkoxy(C1-C12)alkyl, (C1-C4)alkoxy(C2-C8)alkenyl, and halo(C1-C4)alkoxy(C2-C8)alkenyl; R9 is selected from the group consisting of hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, (C1-C4)alkylcarbonyl, (C1-C4)alkoxycarbonyl, aryl, and aralkyl; and R10 is selected from the group consisting of hydrogen, (C1-C12)alkyl, halo(C1-C12)alkyl, (C3-C7)cycloalkyl, halo(C3-C7)cycloalkyl, (C2-C8)alkenyl, halo(C2-C8)alkenyl, (C2-C8)alkynyl, halo(C2-C8)alkynyl, aryl, aralkyl, heterocyclic, and heterocyclic(C1-C4)alkyl.

  具有杀真菌和杀虫性质的化合物具有以下结构式：其中X为N或CH；Y为O、S或NR7；A选自氢、卤素、氰基、(C1-C12)烷基和(C1-C12)烷氧基；R1和R8各自独立地选自氢和(C1-C4)烷基；R2选自氢、(C1-C12)烷基、卤素(C1-C12)烷基、(C3-C7)环烷基、卤素(C3-C7)环烷基、(C2-C8)烯基、卤素(C2-C8)烯基、(C2-C8)炔基、卤素(C2-C8)炔基、芳基、芳基烷基、杂环、杂环(C1-C4)烷基和C(R10)=N-OR9；R3选自芳基、芳基烷基、杂环和杂环(C1-C4)烷基；R4和R5各自独立地选自氢、(C1-C12)烷基、卤素(C1-C12)烷基、(C3-C7)环烷基、卤素(C3-C7)环烷基、(C2-C8)烯基、卤素(C2-C8)烯基、(C2-C8)炔基、卤素(C2-C8)炔基、卤素、氰基和(C1-C4)烷氧羰基；R6和R7各自独立地选自氢、(C1-C12)烷基、卤素(C1-C12)烷基、(C3-C7)环烷基、卤素(C3-C7)环烷基、(C2-C8)烯基、卤素(C2-C8)烯基、(C2-C8)炔基、卤素(C2-C8)炔基、(C1-C4)烷氧基(C1-C12)烷基、卤素(C1-C4)烷氧基(C1-C12)烷基、(C1-C4)烷氧基(C2-C8)烯基和卤素(C1-C4)烷氧基(C2-C8)烯基；R9选自氢、(C1-C12)烷基、卤素(C1-C12)烷基、(C2-C8)烯基、卤素(C2-C8)烯基、(C2-C8)炔基、卤素(C2-C8)炔基、(C1-C4)烷基羰基、(C1-C4)烷氧羰基、芳基和芳基烷基；R10选自氢、(C1-C12)烷基、卤素(C1-C12)烷基、(C3-C7)环烷基、卤素(C3-C7)环烷基、(C2-C8)烯基、卤素(C2-C8)烯基、(C2-C8)炔基、卤素(C2-C8)炔基、芳基、芳基烷基、杂环和杂环(C1-C4)烷基。
• Method for producing 2-halogenomethylphenyl acetic acid derivatives
  申请人：Korte Alexander

  公开号：US20110295022A1

  公开（公告）日：2011-12-01

  The present invention relates to a process for producing 2-halogenomethylphenyl acetic acid derivatives.

  本发明涉及一种生产2-卤代甲基苯乙酸衍生物的方法。
• [EN] "AN IMPROVED PROCESS FOR THE PREPARATION OF TRIFLOXYSTROBIN"<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION DE TRIFLOXYSTROBINE
  申请人：HIKAL LTD

  公开号：WO2019049167A1

  公开（公告）日：2019-03-14

  The present invention relates to an improved process for the preparation of trifloxystrobin of formula (I), which is simple, economical, efficient, user and environment friendly, moreover commercially viable with higher yield and chemical purity.

  本发明涉及一种改进的三氟氧苯丙菌酯(I)的制备方法，该方法简单、经济、高效、用户和环境友好，且具有更高的产率和化学纯度，在商业上也具有可行性。
• Process for the preparation of strobilurin intermediates
  申请人：——

  公开号：US20040077895A1

  公开（公告）日：2004-04-22

  The present invention relates to a novel improved process and intermediates for the process of preparing the oxime intermediates of formula (II) wherein R 1 is hydrogen, fluoro or chloro, and R 2 is methyl, ethyl, methoxy, ethoxy, trifluoromethyl, trifluoromethoxy, cyano, fluoro, chloro or bromo. The novel process comprises diazotizing an aniline of formula (VI) reacting the resulting diazonium salt with isopropenylacetate of formula (X) and reacting the resulting ketone of formula (XI) with an organic nitrite in the presence of hydrogene chloride, and methylating the resulting ketooxime of formula (VIII) with a methylating agent and reacting the resulting O-methyl ketooxime of formula (IX) with hydroxylamine. The compounds of formula (II) are intermediates for highly active fungicides from the class of the atrobilurins. 1

  本发明涉及一种新的改进工艺和中间体，用于制备公式（II）的肟中间体，其中R1为氢、氟或氯，R2为甲基、乙基、甲氧基、乙氧基、三氟甲基、三氟甲氧基、氰基、氟、氯或溴。新工艺包括重氮化公式（VI）的苯胺，将所得的重氮盐与公式（X）的异丙醋酸异丙烯酯反应，将所得的酮（XI）与有机亚硝酸酯在氯化氢存在下反应，用甲基化试剂甲基化所得的酮肟（VIII），并将所得的O-甲基酮肟（IX）与羟胺反应。公式（II）的化合物是从Atrobilurin类高活性杀菌剂的中间体。