methyl (5-methylpyrrol-2-yl)oxoacetate | 114078-16-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: methyl (5-methylpyrrol-2-yl)oxoacetate
• 英文别名: methyl 2-(5-methyl-1H-pyrrol-2-yl)-2-oxoacetate
• CAS: 114078-16-9
• 化学式: C₈H₉NO₃
• 分子量: 167.164
• InChiKey: QJZJVFCUYILLEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl (5-methylpyrrol-2-yl)oxoacetate 在 哌啶 、 溶剂黄146 、 三氯氧磷 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 6.5h， 生成
  参考文献：
  名称：

  1,4-Bisvinylbenzene-Bridged BODIPY Dimers for Fluorescence Imaging in the Second Near-Infrared Window

  摘要：

  DOI：

  10.1021/acs.orglett.3c00140

文献信息

• Alphamethoxy acrylic acid derivatives as fungicides
  申请人：Imperial Chemical Industries PLC

  公开号：US05258360A1

  公开（公告）日：1993-11-02

  Compounds of formula (I): ##STR1## and stereoisomers thereof, wherein W is R.sup.1 O.sub.2 C--C.dbd.CH--ZR.sup.2, wherein R.sup.1 and R.sup.2, which are the same or different, are alkyl or fluoroalkyl groups, and Z is either an oxygen or sulphur atom; A is an oxygen or sulphur atom, --NR.sup.3 --, or --CR.sup.4 R.sup.5 --; X, Y and Z.sup.1, which are the same or different, are, for example, hydrogen, halogen, hydroxy, optionally substituted alkyl, cycloalkyl or aryl among other possible substituents or X and Y when they are in adjacent positions on the ring optionally form a fused ring; and R, R.sup.3 -R.sup.12 are, for example, hydrogen or optionally substituted alkyl among other possible substituents provided R.sup.4 and R.sup.5 are not both hydrogen. The compounds are useful in agriculture, especially as fungicides but also as insecticides and plant growth regulators.

  化合物的化学式（I）：##STR1##及其立体异构体，其中W是R.sup.1 O.sub.2 C--C.dbd.CH--ZR.sup.2，其中R.sup.1和R.sup.2，相同或不同，是烷基或氟代烷基，Z是氧原子或硫原子; A是氧原子或硫原子，-NR.sup.3-或-CR.sup.4R.sup.5-; X，Y和Z.sup.1，相同或不同，例如氢，卤素，羟基，可选取代的烷基，环烷基或芳基等可能的取代基，或当X和Y在环上相邻位置时，它们可以选择形成融合环; R，R.sup.3-R.sup.12例如，氢或可选取代的烷基等可能的取代基，只要R.sup.4和R.sup.5不同时为氢。这些化合物在农业中有用，特别是作为杀菌剂，也可以作为杀虫剂和植物生长调节剂。
• Fungicidal thienyl propenoates
  申请人：Imperial Chemical Industries PLC

  公开号：US05073184A1

  公开（公告）日：1991-12-17

  Compounds of formula (I): ##STR1## and stereoisomers thereof, wherein W is R.sup.1 O.sub.2 C--C.dbd.CH--ZR.sup.2, wherein R.sup.1 and R.sup.2, which are the same or different, are alkyl or fluoroalkyl groups, and Z is either an oxygen or sulphur atom; A is an oxygen or sulphur atom, --NR.sup.3 --, or --CR.sup.4 R.sup.5 --; X, Y and Z.sup.1, which are the same or different, are hydrogen or halogen atoms, or hydroxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted heteroarylalkyl, optionally substituted aryloxyalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted alkoxy, optionally substituted arylalkoxy, optionally substituted aryloxy, optionally substituted heteraryloxy, optionally substituted acyloxy, optionally substituted amino, optionally substituted acylamino, optionally substituted arylazo, nitro, cyano, --CO.sub.2 R.sup.6, --CONR.sup.7 R.sup.8, --COR.sup.9 --CR.dbd.NR.sup.10, --CR.dbd.NOR.sup.10 or --N.dbd.CR.sup.11 R.sup.12 groups; or the groups X and Y, when they are in adjacent positions on the ring, optionally join to form a fused ring, either aromatic or aliphatic, optionally containing one or more heteroatoms; and R, R.sup.3, R.sup.4, R.sup.5, R.sup.6, R.sup.7, R.sup.8, R.sup.9, R.sup.10, R.sup.11 and R.sup.12, which are the same or different, are hydrogen atoms (provided that R.sup.4 and R.sup.5 are not hydrogen) or optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted heterarylalkyl, optionally substituted aryloxyalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl or optionally substituted heteroaryl groups; and metal compelxes thereof. The compounds are useful in agriculture, especially as fungicides but also as insecticides and plant growth regulators.

  式(I)的化合物及其立体异构体，其中W为 R1O2C-C=CH-ZR2，其中R1和R2相同或不同，为烷基或氟烷基，Z为氧原子或硫原子；A为氧原子或硫原子，-NR3-或-CR4R5-；X、Y和Z1相同或不同，为氢原子或卤素原子，或羟基、可选取代的烷基、可选取代的环烷基、可选取代的环烷基烷基、可选取代的芳基烷基、可选取代的杂芳基烷基、可选取代的芳氧基烷基、可选取代的杂芳氧基烷基、可选取代的烯基、可选取代的炔基、可选取代的芳基、可选取代的杂芳基、可选取代的烷氧基、可选取代的芳基烷氧基、可选取代的芳氧基、可选取代的杂芳氧基、可选取代的酰氧基、可选取代的氨基、可选取代的酰胺基、可选取代的芳基偶氮基、硝基、氰基、-CO2R6、-CONR7R8、-COR9-CR=NR10、-CR=NO R10或-N=CR11R12基团；或当它们在环上相邻的位置时，X和Y可以选择连接成为融合环，可以是芳香环或脂环，可以含有一个或多个杂原子；R、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12相同或不同，为氢原子（只要R4和R5不是氢原子），或可选取代的烷基、可选取代的环烷基、可选取代的环烷基烷基、可选取代的芳基烷基、可选取代的杂芳基烷基、可选取代的芳氧基烷基、可选取代的杂芳氧基烷基、可选取代的烯基、可选取代的炔基、可选取代的芳基或可选取代的杂芳基团；以及它们的金属络合物。这些化合物在农业中有用，特别是作为杀菌剂，也可以作为杀虫剂和植物生长调节剂。
• Thiophene derivatives useful as fungicidal, insecticidal or plant growth
  申请人：Imperial Chemical Industries PLC

  公开号：US05053073A1

  公开（公告）日：1991-10-01

  Compounds of formula (I): ##STR1## and stereoisomers thereof, wherein W is R.sup.1 O.sub.2 C--C.dbd.CH--ZR.sup.2, wherein R.sup.1 and R.sup.2, which are the same or different, are alkyl or fluoroalkyl groups, and Z is either an oxygen or sulphur atom; A is an oxygen or sulphur atom, --NR.sup.3 --, or --CR.sup.4 R.sup.5 --; X, Y and Z.sup.1, which are the same or different, are hydrogen or halogen atoms, or hydroxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted heteroarylalkyl, optionally substituted aryloxyalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted alkoxy, optionally substituted arylalkoxy, optionally substituted aryloxy, optionally substituted heteraryloxy, optionally substituted acyloxy, optionally substituted amino, optionally substituted acylamino, optionally substituted arylazo, nitro, cyano, --CO.sub.2 R.sup.6, --CONR.sup.7 R.sup.8, --COR.sup.9 --CR.dbd.NR.sup.10, --CR.dbd.NOR.sup.10 or --N.dbd.CR.sup.11 R.sup.12 groups; or the groups X and Y, when they are in adjacent positions on the ring, optionally join to form a fused ring, either aromatic or aliphatic, optionally containing one or more heteroatoms; and R, R.sup.3, R.sup.4, R.sup.5, R.sup.6, R.sup.7, R.sup.8, R.sup.9, R.sup.10, R.sup.11, and R.sup.12, which are the same or different, are hydrogen atoms (provided that R.sup.4 and R.sup.5 are not hydrogen) or optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted heterarylalkyl, optionally substituted aryloxyalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl or optionally substituted heteroaryl groups; and metal complexes thereof. The compounds are useful in agriculture, especially as fungicides but also as insecticides and plant growth regulators.

  化学式为(I)的化合物及其立体异构体，其中W为R1O2C-C=CH-ZR2，其中R1和R2相同或不同，为烷基或氟烷基，Z为氧原子或硫原子；A为氧原子或硫原子，-NR3-或-CR4R5-；X、Y和Z1相同或不同，为氢原子或卤素原子，或为羟基、可选取代的烷基、可选取代的环烷基、可选取代的环烷基烷基、可选取代的芳基烷基、可选取代的杂芳基烷基、可选取代的芳氧基烷基、可选取代的杂芳氧基烷基、可选取代的烯基、可选取代的炔基、可选取代的芳基、可选取代的杂芳基、可选取代的烷氧基、可选取代的芳基烷氧基、可选取代的芳氧基、可选取代的杂芳氧基、可选取代的酰氧基、可选取代的氨基、可选取代的酰胺基、可选取代的芳基偶氮基、硝基、氰基、-CO2R6、-CONR7R8、-COR9-CR=NR10、-CR=NO R10或-N=CR11R12基团；或当它们在环上相邻位置时，X和Y可选地连接形成融合环，可以是芳香环或脂环，可选含有一个或多个杂原子；R、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12相同或不同，为氢原子（假设R4和R5不是氢）或可选取代的烷基、可选取代的环烷基、可选取代的环烷基烷基、可选取代的芳基烷基、可选取代的杂芳基烷基、可选取代的芳氧基烷基、可选取代的杂芳氧基烷基、可选取代的烯基、可选取代的炔基、可选取代的芳基或可选取代的杂芳基；以及它们的金属配合物。这些化合物在农业中有用，特别是作为杀菌剂，也可用作杀虫剂和植物生长调节剂。
• Fungicides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0243014B1

  公开（公告）日：1991-03-06