3-(phenoxymethyl)thiophene | 267228-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(phenoxymethyl)thiophene
• CAS: 267228-00-2
• 化学式: C₁₁H₁₀OS
• 分子量: 190.266
• InChiKey: HKQPCIWNHQRHGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  293.8±15.0 °C(predicted)
• 密度：
  1.162±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  草酸二甲酯 、 3-(phenoxymethyl)thiophene 以 四氢呋喃 、 正己烷 为溶剂， 以11%的产率得到methyl 2-(3-phenoxymethyl-2-thienyl)-2-oxoacetate
  参考文献：
  名称：

  Fungicides

  摘要：

  公开号：

  EP0243014B1
• 作为产物：
  描述：

  3-氯甲基噻吩 、 苯酚 以 N,N-二甲基甲酰胺 为溶剂， 以91%的产率得到3-(phenoxymethyl)thiophene
  参考文献：
  名称：

  Fungicides

  摘要：

  式(I)的化合物及其立体异构体，其中W为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，为烷基或氟烷基基团，Z为氧或硫原子；A为氧或硫原子，--NR.sup.3--，或--CR.sup.4 R.sup.5--；X、Y和Z.sup.1，相同或不同，为氢或卤素原子，或羟基，可选择地取代的烷基，可选择地取代的环烷基，可选择地取代的环烷基烷基，可选择地取代的芳基烷基，可选择地取代的杂环烷基烷基，可选择地取代的芳氧基烷基，可选择地取代的杂芳氧基烷基，可选择地取代的烯基，可选择地取代的炔基，可选择地取代的芳基，可选择地取代的杂芳基，可选择地取代的烷氧基，可选择地取代的芳基氧基，可选择地取代的芳氧基，可选择地取代的杂芳氧基，可选择地取代的酰氧基，可选择地取代的氨基，可选择地取代的酰胺基，可选择地取代的芳基偶氮基，硝基，氰基，--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或--N.dbd.CR.sup.11 R.sup.12基团；或当X和Y在环上相邻位置时，它们可选择地连接形成融合环，无论是芳香性还是脂肪性，可选择地含有一个或多个杂原子；以及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和R.sup.12，相同或不同，为氢原子（条件是R.sup.4和R.sup.5不是氢）或可选择地取代的烷基，可选择地取代的环烷基，可选择地取代的环烷基烷基，可选择地取代的芳基烷基，可选择地取代的杂芳基烷基，可选择地取代的芳氧基烷基，可选择地取代的杂芳氧基烷基，可选择地取代的烯基，可选择地取代的炔基，可选择地取代的芳基或可选择地取代的杂芳基；及其金属络合物。这些化合物在农业中很有用，特别是作为杀菌剂，也可作为杀虫剂和植物生长调节剂。

  公开号：

  US04863503A1

文献信息

• Ferric Chloride Catalyzed 1,3-Rearrangement of (Phenoxymethyl)heteroarenes to (Heteroarylmethyl)phenols
  作者：Yingzhan Tang、Kaitong Zhuang、Xinhang Zhang、Fukai Xie、Lu Yang、Bin Lin、Maosheng Cheng、Dan Li、Yongxiang Liu

  DOI：10.1002/ejoc.202000419

  日期：2020.6.23

  (Heteroarylmethyl)phenol derivatives were synthesized via a highly useful and robust FeCl3‐catalyzed 1,3‐rearrangement of (phenoxymethyl)arylheterocycles. This strategy features readily available catalyst, mild reaction conditions, short reaction time, and broad substrate scope. The methodology was applied to the synthesis of a key (heteroarylmethyl)phenol intermediate for zafirlukast.

  （杂芳基甲基）苯酚衍生物是通过高度有用且坚固的FeCl 3催化的（苯氧甲基）芳基杂环的1,3-重排而合成的。该策略的特点是催化剂容易获得，反应条件温和，反应时间短，底物范围广。该方法应用于扎鲁司特的关键（杂芳基甲基）苯酚中间体的合成。
• 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。
• PI-ELECTRON CONJUGATED BLOCK COPOLYMER AND PHOTOELECTRIC CONVERSION ELEMENT
  申请人：Inagaki Takuya

  公开号：US20140084220A1

  公开（公告）日：2014-03-27

  Provided is a conjugated block copolymer that is capable of morphology control and that can achieve superior conversion efficiency. A π-electron conjugated block copolymer contiguously or non-contiguously bonding polymer block (A) involving a monomer unit having in a portion of a chemical structure at least one heteroaryl skeleton selected from a thiophene, a fluorine, a carbazole, a dibenzosilole and a dibenzogermole; and a polymer block (B) involving a monomer unit similarly having at least one heteroaryl skeleton; wherein the polymer block (A) comprises a homopolymer block of a monomer unit having a substituent R nA that is an alkoxy group or an alkyl group having 1-18 carbon atoms, and the polymer block (B) comprises a copolymer block of at least two different each other types of monomer units having substituent R nB selected from an alkoxy group or an alkyl group having 1-18 carbon atoms, which may be substituted with an alkoxy group, a halogen atom, a hydroxyl group, an amino group, a thiole group, a silyl group, an ester group, an aryl group, hetero aryl group.

  提供的是一种共轭嵌段共聚物，能够控制形态并实现更高的转化效率。该共轭嵌段共聚物由连续或非连续键合的聚合物块（A）和聚合物块（B）组成，聚合物块（A）包括至少在化学结构的一部分中具有来自噻吩、氟、咔唑、二苯基硅烷和二苯基锗烷中至少一个杂环骨架的单体单元，其中聚合物块（A）包括单体单元的同源聚合物块，该单体单元具有取代基RnA，该取代基为具有1-18个碳原子的烷氧基或烷基，并且聚合物块（B）包括至少两种不同类型的单体单元的共聚物块，该单体单元具有取代基RnB，该取代基为具有1-18个碳原子的烷氧基或烷基，可以用烷氧基、卤素原子、羟基、氨基、硫醇基、硅基、酯基、芳基、杂芳基进行取代。