2-methyl-8-phenyl-1,2-dihydrobenzo[b]cyclopenta[d]thiophen-3-one | 712349-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-methyl-8-phenyl-1,2-dihydrobenzo[b]cyclopenta[d]thiophen-3-one
• 英文别名: 2-methyl-8-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one
• CAS: 712349-80-9
• 化学式: C₁₈H₁₄OS
• 分子量: 278.375
• InChiKey: JTEDEZULZWWACE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-phenylbenzo[b]thiophene 、 甲基丙烯酸 在 Eaton's reagent 作用下， 反应 0.5h， 生成 2-methyl-8-phenyl-1,2-dihydrobenzo[b]cyclopenta[d]thiophen-3-one 、 2-methyl-8-phenyl-1,2-dihydrobenzo[b]cyclopenta[d]thiophen-1-one
  参考文献：
  名称：

  [EN] PREPARATION OF HETEROCYCLIC KETONES
  [FR] PREPARATION DE CETONES HETEROCYCLIQUES

  摘要：

  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。

  公开号：

  WO2004056796A1

文献信息

• Preparation of heterocyclic ketones
  申请人：Elder J. Michael

  公开号：US20070142649A1

  公开（公告）日：2007-06-21

  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,β-unsaturated carboxylic acid of the formula (III), or with its anhydride of the formula (IV), where R 1 is hydrogen or a C 1 -C 40 carbon-containing group, R 2 is hydrogen or a C 1 -C 40 carbon-containing group, or R 1 and R 2 together form a cyclic ring system, R 3 is a C 1 -C 40 carbon-containing group and X is an element of the 16th group of the Periodic Table or is a divalent nitrogen group —(N—R 4 )—, where R 4 is an electron-withdrawing radical which is selected from the group consisting of perhalogenated C 1 -C 40 carbon-containing radicals and C 1 -C 40 organosulfonyl groups.

  本发明涉及一种制备式(I)和(la)的杂环酮的方法，该方法通过将式(II)的杂环化合物与式(III)的α，β-不饱和羧酸或其式(IV)的酸酐反应而得到，其中R1是氢或含有C1-C40碳的基团，R2是氢或含有C1-C40碳的基团，或者R1和R2一起形成一个环状环系统，R3是含有C1-C40碳的基团，X是周期表第16族元素或是二价氮基团—(N-R4)—，其中R4是从含有卤素的C1-C40碳基团和C1-C40有机磺酰基团组成的电子吸引基团中选择的。
• Organometallic Transition Metal Compound, Biscyclopentadienyl Ligand System, Catalyst System and Process for Preparing Polyolefins
  申请人：Elder J. Michael

  公开号：US20070260025A1

  公开（公告）日：2007-11-08

  The present invention relates to organometallic transition metal compounds of the formula (I) M 1 is a metal of group 3, 4, 5 or 6 of the Periodic Table of the Elements or the lanthanicles, X are identical or different and are each an organic or inorganic radical, where two radicals X can also be joined to one another, n is a natural number from 1 to 4, T 1 , T 2 are identical or different and are each a divalent group selected from the group consisting of —O—, —S—, —Se—, —Te—, —N(R 13 )_′—P(R 13 )—, —As(R 13 )—, Sb(R 13 )—, —Si(R 13 ) 2- , —C(R 13 R 14 )—C(R 13 R 15 )— and —C(R 14 )═C(R 15 )—, where R 13 , R 14 and R 15 are identical or different and are each hydrogen or an organic radical having from 1 to 40 carbon atoms, R 1 , R 7 are identical or different and are each hydrogen or an organic radical having from 1 to 40 carbon atoms, R 2 R 8 are identical or different and are each hydrogen or an organic radical having from 1 to 40 carbon atoms, R 3 R 9 are identical or different and are each halogen or an organic radical having from 1 to 40 carbon atoms, where R 3 is not methyl when T 1 is —C(H)═C(H)—, R 4 , R 5 R 6 , R 10 , R 11 and R 12 are identical or different and are each hydrogen, halogen or an organic radical having from 1 to 40 carbon atoms, or two adjacent radicals R 4 , R 5 , R 6 , R 10 , R 11 and R 12 together with the atoms connecting them form a monocyclic or polycyclic, substituted or unsubstituted ring system which has from 1 to 40 carbon atoms and may also contain heteroatoms selected from the group consisting of the elements O, S, Se, Te, N, P, As, Sb and Si, or, if T 1 or T 2 is —O—, —S—, —Se— or —Te—, the radical R 3 together with R 4 and/or the radical R 9 together with R 10 forms a monocyclic or polycyclic, substituted or unsubstituted ring system which has from 1 to 40 carbon atoms and may also contain heteroatoms selected from the group consisting of the elements O, S, Se, Te, N, P, As, Sb and Si, and A is a bridge consisting of a divalent atom or a divalent group, biscyclopentadienyl ligand systems having such a substitution pattern, catalyst systems comprising at least one of the organometallic transition metal compounds of the present invention, a process for preparing polyolefins by polymerization or copolymerization of at least one olefin in the presence of one of the catalyst systems of the present invention and the polyolefins obtainable in this way, the use of the biscyclopentaclienyl ligand systems of the present invention for preparing organometallic transition metal compounds and a process for preparing organometallic transition metal compounds using the biscyclopentaclienyl ligand systems.

  本发明涉及公式(I)的有机金属过渡金属化合物，其中M1是元素周期表中III、IV、V或VI族或镧系元素的金属，X是相同或不同的有机或无机基团，其中两个基团X也可以连接在一起，n是1至4的自然数，T1、T2是相同或不同的二价基团，选自—O—、—S—、—Se—、—Te—、—N(R13)_′—P(R13)—、—As(R13)—、Sb(R13)—、—Si(R13)2-、—C(R13R14)—C(R13R15)—和—C(R14)═C(R15)—，其中R13、R14和R15相同或不同，均为氢或具有1至40个碳原子的有机基团，R1、R7相同或不同，均为氢或具有1至40个碳原子的有机基团，R2、R8相同或不同，均为氢或具有1至40个碳原子的有机基团，R3、R9相同或不同，均为卤素或具有1至40个碳原子的有机基团，其中当T1为—C(H)═C(H)—时，R3不是甲基，R4、R5、R6、R10、R11和R12相同或不同，均为氢、卤素或具有1至40个碳原子的有机基团，或相邻的两个基团R4、R5、R6、R10、R11和R12与连接它们的原子一起形成有1至40个碳原子的单环或多环取代或未取代环系，也可以包含从O、S、Se、Te、N、P、As、Sb和Si元素组成的杂原子，或者如果T1或T2为—O—、—S—、—Se—或—Te—，则基团R3与R4和/或基团R9与R10一起形成有1至40个碳原子的单环或多环取代或未取代环系，也可以包含从O、S、Se、Te、N、P、As、Sb和Si元素组成的杂原子，A是由二价原子或二价基团组成的桥，具有这种取代模式的双环戊二烯配体系统，包括本发明的有机金属过渡金属化合物的催化剂体系，通过在本发明的催化剂体系存在下聚合或共聚合至少一种烯烃的制备聚烯烃的方法以及由此得到的聚烯烃，本发明的双环戊二烯配体系统用于制备有机金属过渡金属化合物的用途以及使用双环戊二烯配体系统制备有机金属过渡金属化合物的方法。
• PREPARATION OF HETEROCYCLIC KETONES
  申请人：Basell Polyolefine GmbH

  公开号：EP1572677B1

  公开（公告）日：2006-04-12
• ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS
  申请人：Basell Polyolefine GmbH

  公开号：EP1680453B1

  公开（公告）日：2012-08-15
• US7531672B2
  申请人：——

  公开号：US7531672B2

  公开（公告）日：2009-05-12