5,6-dihydro-2,5-dimethyl-6H-cyclopentathiophen-4-one | 74047-70-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,6-dihydro-2,5-dimethyl-6H-cyclopentathiophen-4-one
• 英文别名: 2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-one；2,5-dimethylcyclopenteno[2,3-b]thiophen-4-one；2,5-dimethyl-4H,5H,6H-cyclopenta[b]thiophen-4-one；2,5-dimethyl-5,6-dihydro-cyclopenta[b]thiophen-4-one；2,5-dimethyl-5,6-dihydrocyclopenta[1,2-b]thiophen-4-one；2,5-dimethyl-4,5-dihydrocyclopenta[b]thiophen-4-one；2,5-dimethyl-6-hydrocyclopenta[1,2-b]thiophen-4-one；2,5-dimethyl-5,6-dihydrocyclopenta[b]thiophen-4-one
• CAS: 74047-70-4
• 化学式: C₉H₁₀OS
• 分子量: 166.244
• InChiKey: ZXBGFSSGPDBXHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,6-dihydro-2,5-dimethyl-6H-cyclopentathiophen-4-one 在 lithium aluminium tetrahydride 、 三氯化铝 、 碘 、 碘酸 、 苯基锂 作用下， 反应 2.25h， 生成 1-(benzylthio)-4-methyl-2-(1-propynyl)cyclopentene
  参考文献：
  名称：

  Ring-opening reactions. 18. Synthesis of cyclic thioenol ethers

  摘要：

  DOI：

  10.1021/jo00328a032
• 作为产物：
  描述：

  2-methyl-3-(5-methyl-thiophen-2-yl)-propionic acid 在 PPA 、 phosphorus pentoxide 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以84.1%的产率得到5,6-dihydro-2,5-dimethyl-6H-cyclopentathiophen-4-one
  参考文献：
  名称：

  TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS

  摘要：

  公开号：

  EP1475383B1

文献信息

• [EN] METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS<br/>[FR] COMPLEXE MÉTALLIQUE COMPRENANT DES LIGANDS DE CYCLOPENTADIÉNYLE FUSIONNÉS PAR AMIDINE ET THIOPHÈNE
  申请人：ARLANXEO NETHERLANDS BV

  公开号：WO2019132687A1

  公开（公告）日：2019-07-04

  A metal complex of the formula (1) TCyLMXp (1), wherein M is a group 4 metal Z is an anionic ligand, p is number of 1 to 2, preferably 2, TCy is a thiophene fused cyclopentadienyl-type ligand of the formula (2) wherein R1 and R2 being individually selected from the group of hydrogen, halogen, C1-C10 alkyl, C5-C10 cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted С6-С10 aryl, in particular C1-C4-alkyl substituted phenyl and SiR3, OR, NR2, SR, PR2, wherein R means individually C1-C10-alkyl, C5-С10-cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl or R1 and R2 together with the 2 double bond carbon atoms of the thiophene ring they are connected to form an unsubstituted or C1-C4-alkyl substituted aliphatic C5-C6-cycloalkene ring, R3, R4 and R5 being individually selected from the group of hydrogen, C1-C4 alkyl, unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl, and SiR3, OR, NR2, SR, PR2, wherein R means individually C1-C10-alkyl, C5-C10-cycloalkyl, and an unsubstituted or C1-C10-alkyl or C1-C4-dialkyl amino substituted C6-C10-aryl, in particular C1-C4-alkyl substituted phenyl and, L is an amidinate ligand of the formula (3) wherein the amidine-containing ligand is covalently bonded to the metal M via the imine nitrogen atom, and Sub1 is an unsubstituted or C1-C4-alkyl and/or halogen, in particular chlorine or fluorine substituted C6-C10-aromatic substituent, in particular phenyl and Sub2 is a substituent comprising a heteroatom of group 15, through which Sub2 is bonded to the imine carbon atom or Sub1 and Sub2 together with the imino group they are connected to form a ligand of formula (3a) wherein the amidine-containing ligand (3a) is covalently bonded to the metal M via the imine nitrogen atom N2, wherein the benzo ring fused to the amidine ring may be unsubstituted or contain further substituents R7, which are individually of the index "q" selected from the group of hydrogen, C1-C4-alkyl and halogen and whereby q is a number of 0 to 4, preferably 0 to 2, most preferably 0, Sub4 is an aliphatic or aromatic cyclic or linear substituent comprising a group 14 atom through which Sub4 is bonded to the amino nitrogen atom N1, preferably Sub4 is a C6-C10 aromatic ring, preferably phenyl which is unsubstituted or substituted by one or more substituents from the group selected from halogen, in particular Cl or F and C1-C4-alkyl.

  一种化学配合物，其化学式为（1）TCyLMXp（1），其中M为4族金属，Z为阴离子配体，p为1至2的数字，最好为2，TCy为一种噻吩融合的环戊二烯基型配体，其化学式为（2），其中R1和R2分别选自氢、卤素、C1-C10烷基、C5-C10环烷基、未取代或C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4烷基取代的苯基和SiR3、OR、NR2、SR、PR2，其中R分别表示C1-C10烷基、C5-C10环烷基、未取代或C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4烷基取代的苯基或R1和R2与噻吩环的2个双键碳原子连接在一起形成未取代或C1-C4烷基取代的脂肪族C5-C6环烯基环，R3、R4和R5分别选自氢、C1-C4烷基、未取代或C1-C4烷基和/或卤素，特别是氯或氟取代的C6-C10芳基，特别是C1-C4烷基取代的苯基和SiR3、OR、NR2、SR、PR2，其中R分别表示C1-C10烷基、C5-C10环烷基、未取代或C1-C10烷基或C1-C4二烷基氨基取代的C6-C10芳基，特别是C1-C4烷基取代的苯基，L为一种含有酰胺基的配体，其化学式为（3），其中含有酰胺基的配体通过亚胺氮原子与金属M共价结合，Sub1为未取代或C1-C4烷基和/或卤素，特别是氯或氟取代的C6-C10芳基取代基，特别是苯基，Sub2为含有15族元素的取代基，通过该取代基与亚胺碳原子结合或Sub1和Sub2与亚胺基一起形成化学式（3a）的配体，其中含有酰胺基的配体（3a）通过亚胺氮原子N2与金属M共价结合，苯环与酰胺环融合的部分可能未取代或含有进一步的取代基R7，该取代基R7分别为指数“q”选自氢、C1-C4烷基和卤素，其中q为0至4的数字，最好为0至2，最好为0，Sub4为含有14族元素的脂肪族或芳香族环状或线性取代基，通过该取代基与氨基氮原子N1结合，最好Sub4为C6-C10芳香环，最好为苯基，未取代或由卤素（特别是Cl或F）和C1-C4烷基等取代基取代。
• [EN] PREPARATION OF HETEROCYCLIC KETONES<br/>[FR] PREPARATION DE CETONES HETEROCYCLIQUES
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2004056796A1

  公开（公告）日：2004-07-08

  The present invention relates to a process for preparing heterocyclic ketones of the formulae (I) and (la), by reacting a heterocyclic compound of the formula (II), with an α,ß-unsaturated carboxylic acid of the formula (III), or with its anhydride of the formula (IV), where R1 is hydrogen or a C1-C40 carbon-containing group, R2 is hydrogen or a C1-C40 carbon-containing group, or R1 and R2 together form a cyclic ring system, R3 is a C1-C40 carbon-containing group and X is an element of the 16th group of the Periodic Table or is a divalent nitrogen group -(N-R4)-, where R4 is an electron-withdrawing radical which is selected from the group consisting of perhalogenated C1-C40 carbon-containing radicals and C1-C40 organosulfonyl groups.

  本发明涉及一种制备式(I)和(Ia)的杂环酮的方法，通过将式(II)的杂环化合物与式(III)的α,ß-不饱和羧酸或其式(IV)的酐反应而得，其中R1为氢或C1-C40碳基团，R2为氢或C1-C40碳基团，或R1和R2一起形成一个环状环系统，R3为C1-C40碳基团，X为周期表第16族元素或是一个二价氮基团-(N-R4)-，其中R4是从全氟化的C1-C40碳基团和C1-C40有机磺酰基组成的一组中选择的电子吸引基。
• Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135623A1

  公开（公告）日：2007-06-14

  Halogen substituted metallocene compounds are described and comprise one or more monocyclic or polycyclic ligands that are pi-bonded to the metal atom and include at least one halogen substituent directly bonded to an sp 2 carbon atom at a bondable ring position of the ligand, wherein the or at least one ligand has one or more ring heteroatoms in its cyclic structure. When combined with a suitable activator, these compounds show activity in the polymerization of olefins, such as ethylene and propylene.

  描述了卤代取代的茂金属化合物，包括一个或多个与金属原子π键结合的单环或多环配体，并且至少包括一个卤素取代基直接键合到配体的可键合环位置上的sp2碳原子，其中该配体或至少一个配体在其环状结构中具有一个或多个环异原子。与适当的活化剂结合时，这些化合物在烯烃聚合反应中显示出活性，例如乙烯和丙烯。
• Transition metal complexes, ligands, catalysts for olefin polymerization, and process for production of olefin polymers
  申请人：Hanaoka Hidenori

  公开号：US20060111525A1

  公开（公告）日：2006-05-25

  A transition metal complex represented by the formula (1): wherein M is a Group 4 transition metal, A is a Group 16 element, B is a Group 14 element, n is an integer of 0 or 1, R 1 , R 2 , R 3 and R 4 may be the same or different and each independently denotes a substituent selected from the group consisting of the groups (I) and (II): group (I): hydrogen, alkyl and so on group (II): alkoxy, alkylthio and so on, provided that at least one of R 1 , R 2 , R 3 and R 4 is a substituent selected from group (II); R 5 , R 6 , R 7 , R 8 R 9 , R 10 , X 1 and X 2 may be the same or different and are each hydrogen, halogen, alkyl or the like; and a catalyst for olefin polymerization comprising said complex, an organoaluminum compound and a boron compound are provided.

  一种过渡金属配合物，其化学式表示为（1）：其中M是第四族过渡金属，A是第16族元素，B是第14族元素，n是0或1的整数，R1，R2，R3和R4可以相同或不同，且每个独立地表示从群组（I）和（II）中选择的取代基：群组（I）：氢，烷基等；群组（II）：烷氧基，烷硫基等，但要求R1，R2，R3和R4中至少一个是从群组（II）中选择的取代基；R5，R6，R7，R8，R9，R10，X1和X2可以相同或不同，且每个均为氢，卤素，烷基或类似物；以及包括所述配合物、有机铝化合物和硼化合物的烯烃聚合催化剂。
• Transition metal complexes, ligands, polymerization catalysts for olefins, and process for production of olefin polymers
  申请人：Hanaoka Hidenori

  公开号：US20050154158A1

  公开（公告）日：2005-07-14

  A transition metal complex represented by the formula (1): wherein M is a Group 4 transition metal, A is a Group 16 element, B is a Group 14 element, n is an integer of 0 or 1, R 1 , R 2 , R 3 and R 4 may be the same or different and each independently denotes a substituent selected from the group consisting of the groups (I) and (II): group (I): hydrogen, alkyl and so on, group (II): alkoxy, alkylthio and so on, provided that at least one of R 1 , R 2 , R 3 and R 4 is a substituent selected from group (II); R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , X 1 and X 2 may be the same or different and are each hydrogen, halogen, alkyd or the like; and a catalyst for olefin polymerization comprising said complex, an organoaluminum compound and a boron compound are provided.

  一种过渡金属配合物，其化学式表示为（1）：其中M为第四族过渡金属，A为第16族元素，B为第14族元素，n为0或1的整数，R1、R2、R3和R4可能相同或不同，且各自独立地表示从群组（I）和（II）中选择的取代基：群组（I）：氢，烷基等，群组（II）：烷氧基，烷硫基等，但至少有一个R1、R2、R3和R4是从群组（II）中选择的取代基；R5、R6、R7、R8、R9、R10、X1和X2可能相同或不同，且各自表示氢，卤素，烷基等；提供了一种用于烯烃聚合的催化剂，包括所述配合物，有机铝化合物和硼化合物。