4-((2,4,6-trimethylphenyl)amino)pent-3-en-2-one | 220673-73-4

• 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: 4-((2,4,6-trimethylphenyl)amino)pent-3-en-2-one
• 英文别名: 2-((2,4,6-trimethylphenyl)imido)-2-penten-4-one；4-(2,4,6-Trimethylanilino)pent-3-en-2-one
• CAS: 220673-73-4
• 化学式: C₁₄H₁₉NO
• 分子量: 217.311
• InChiKey: SCYNOQWCYRHETK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-((2,4,6-trimethylphenyl)amino)pent-3-en-2-one 在 劳森试剂 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 4-(2,4,6-trimethylphenylamino)-3-penten-2-thione
  参考文献：
  名称：

  N,O-和N,S-供体配体支持的甲基-钯和-铂配合物的合成和表征

  摘要：

  甲基钯和铂配合物 [Pd(AcNac)(PMe3)CH3]、[Pd(SacNac)(PMe3)CH3] 和 [Pt(SacNac)(PMe3)CH3] 是由 AcNac [H3CC( O)CHC(NAr)CH3；Ar = 2,6-iPr-C6H3 = Dipp (L-1)；Ar = 2,4,6-MeC6H2 = Mes (L-2)] 或 SacNac [H3CC(S)CHC(NAr)CH3; Ar = 2,6-iPr-C6H3 = Dipp (L-3)；Ar = 2,4,6-MeC6H2 = Mes (L-4)] 配体和组成 [M(L)Me-2] 的二甲基金属配合物 (M = Pd, L = tmeda = N,N,NN-四甲基乙二胺；M = Pt，L = cod = 1,5-环辛二烯）和 PMe3 在乙腈中。在每种情况下仅形成一种异构体，并且 X 射线晶体学分析表明，PMe3 共配体在所

  DOI：

  10.1002/ejic.201501140
• 作为产物：
  描述：

  2,4,6-三甲基苯胺 、 乙酰丙酮 在 [Cp(2-(mesityl)imidazo[1,5-a]pyridin-3-ylidene)Fe(CO)₂]BF₄ 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以96%的产率得到4-((2,4,6-trimethylphenyl)amino)pent-3-en-2-one
  参考文献：
  名称：

  熔融双环咪唑并[1,5-a]吡啶衍生的N-杂环卡宾铁络合物催化1,3-二羰基化合物与脂肪族和芳香族胺合成β-烯胺

  摘要：

  一系列的Fe-NHC络合物（1 - 2）ç稠合的双环咪唑并[1,5-的一个]吡啶的类型的框架[CpFe的量（2-R -咪唑并[1,5-一个]吡啶-3-亚基）（CO）2 ] BF 4 {R =异亚丙基丙酮（1C），ñ PR（图2c）}成功地进行了β烯氨基酮（合成3 - 10）和（17 - 27）和β-烯酯（11 – 16）和（28 – 36）在光照射下通过无环和环状1,3-二羰基化合物与各种脂肪族和芳香族胺的缩合而形成。相当显著，类型[CpFe的量（NHC）（acac）]的（的催化相关衬底加合物种类2E）和式[CpFe的量（NHC）（β的乘积加合物种类-烯胺酮）]（2F所述的Fe的）已通过质谱研究检测到NHC前催化剂（2c）。[CpFe（2-R-咪唑并[1,5- a ]吡啶-3-亚基）（CO）2 ] BF 4 {R =均三（1c），n Pr（2c）}络合物是从它们各自的N-杂环卡宾前体，即2-R-咪唑并[1

  DOI：

  10.1002/ejic.201800906

文献信息

• [EN] NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES<br/>[FR] COMPLEXE D'AZOTE TITANE, SYSTÈME CATALYTIQUE COMPRENANT LEDIT COMPLEXE D'AZOTE TITANE ET PROCÉDÉ DE (CO)POLYMÉRISATION DE DIÈNES CONJUGUÉS
  申请人：VERSALIS SPA

  公开号：WO2017017203A1

  公开（公告）日：2017-02-02

  Nitrogen titanium complex having general formula (I) or (II), wherein: - R1 represents a hydrogen atom; or is selected from linear or branched C1-C20 alkyl groups, preferably C1-C15, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted; - R2, R3, R4 and R5, identical or different, represent a hydrogen atom; or are selected from linear or branched C1-C20 alkyl groups, preferably C1-C15, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted, nitro groups, hydroxyl groups, amino groups; - Y represents a NH-R6 group wherein R6 represents a hydrogen atom, or is selected from linear or branched C1-C20 alkyl groups, preferably C1-C15, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted; or a N-R7 group wherein R7 is selected from linear or branched C1-C20 alkyl groups, preferably C1-C15, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted; - X1, X 2, X 3 and X 4, identical or different, represent a halogen atom, such as, for example, chlorine, bromine, iodine, preferably chlorine; or are selected from linear or branched C1 -C20 alkyl groups, preferably C1-C15, -OCOR8 or -OR8 groups wherein R8 is selected from linear or branched C1-C20 alkyl groups, preferably C1-C15; or one of X1, X2 and X3 is selected from ethers, such as,for example, diethylether, tetrahydrofuran (THF), dimethoxyethane, preferably tetrahydrofuran (THF); - n is 1 in the case wherein Y represents a NH-R6 group wherein R6 has the same meanings reported above; or is 0 in the case wherein Y represents a N-R7 group wherein R7 has the same meanings reported above, or in the case wherein one of X1, X2 and X3 is selected from ethers; - R'1, R' 2, R'3, R'4, R'5, R'6 and R'7, identical or different, represent a hydrogen atom; or are selected from linear or branched C1-C20 alkyl groups, preferably C1-C15, optionally halogenated, cycloalkyl groups optionally substituted, aryl groups optionally substituted; - X'1 and X'2, identical or different, represent a halogen atom such as, for example, chlorine, bromine, iodine, preferably chlorine; or are selected from linear or branched C1-C20 alkyl groups, preferably C1-C15, -OCOR'8 groups or -OR'8 groups wherein R' 8 is selected from linear or branched C1-C20 alkyl groups, preferably C1-C15; - Y' is selected from ethers such as, for example,diethylether, tetrahydrofuran (THF), dimethoxyethane, preferably is tetrahydrofuran (THF); or Y' represents a group having general formula (III), wherein R'1, R' 2, R'3, R'4, R'5, R'6 and R'7, have the same meanings as reported above; - m is 0 or 1. Said nitrogen titanium complex having general formula (I) or (II) can be advantageously used in a catalytic system for the (co)polymerization of conjugated dienes.

  氮钛配合物的一般化学式为(I)或(II)，其中：- R1代表氢原子；或者选自线性或支链的C1-C20烷基，优选C1-C15，可选择卤代，环烷基可选择取代，芳基可选择取代；- R2、R3、R4和R5，相同或不同，代表氢原子；或选自线性或支链的C1-C20烷基，优选C1-C15，可选择卤代，环烷基可选择取代，芳基可选择取代，硝基，羟基，氨基；- Y代表NH-R6基团，其中R6代表氢原子，或选自线性或支链的C1-C20烷基，优选C1-C15，可选择卤代，环烷基可选择取代，芳基可选择取代；或N-R7基团，其中R7选自线性或支链的C1-C20烷基，优选C1-C15，可选择卤代，环烷基可选择取代，芳基可选择取代；- X1、X2、X3和X4，相同或不同，代表卤素原子，例如氯、溴、碘，优选氯；或选自线性或支链的C1-C20烷基，优选C1-C15，-OCOR8或-OR8基团，其中R8选自线性或支链的C1-C20烷基，优选C1-C15；或X1、X2和X3中的一个选自醚类化合物，例如二乙醚、四氢呋喃(THF)、二甲氧基乙烷，优选四氢呋喃(THF)；- n在Y代表NH-R6基团的情况下为1，其中R6具有上述相同含义；或在Y代表N-R7基团的情况下为0，其中R7具有上述相同含义，或在X1、X2和X3中的一个选自醚类化合物的情况下为0；- R'1、R'2、R'3、R'4、R'5、R'6和R'7，相同或不同，代表氢原子；或选自线性或支链的C1-C20烷基，优选C1-C15，可选择卤代，环烷基可选择取代，芳基可选择取代；- X'1和X'2，相同或不同，代表卤素原子，例如氯、溴、碘，优选氯；或选自线性或支链的C1-C20烷基，优选C1-C15，-OCOR'8基团或-OR'8基团，其中R'8选自线性或支链的C1-C20烷基，优选C1-C15；- Y'选自醚类化合物，例如二乙醚、四氢呋喃(THF)、二甲氧基乙烷，优选四氢呋喃(THF)；或Y'代表具有一般化学式(III)的基团，其中R'1、R'2、R'3、R'4、R'5、R'6和R'7具有上述相同含义；- m为0或1。具有一般化学式(I)或(II)的氮钛配合物可优势地用于共轭二烯的催化系统中的(共)聚合。
• A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity
  作者：Hsi-Ching Tseng、Michael Y. Chiang、Wei-Yi Lu、Yen-Jen Chen、Cheng-Jie Lian、Yu-Hsieh Chen、Hsin-Yi Tsai、Yi-Chun Lai、Hsuan-Ying Chen

  DOI：10.1039/c5dt01563d

  日期：——

  Al complexes bearing ketimine ligands was investigated. The catalytic results indicated complexes with more steric hindrance with an electron-withdrawing group on the ligands, or the fact that less chelating ligands demonstrated greater propagation activity. The opposite trend for these structural effects was observed on the measurement of induction periods. These features on ligands of aluminum complexes

  先前对使用结构相关的铝配合物作为前催化剂的ε-己内酯的开环聚合的研究表明，总转化时间的趋势不一致。我们建议应考虑将Al络合物转化为真正的催化物质Al醇盐的诱导期，因为总转化时间包括诱导期和聚合物扩散时间。在此，研究了一系列带有酮亚胺配体的Al配合物的聚合速率。催化结果表明与配体上的吸电子基团具有更大空间位阻的配合物，或螯合配体较少的事实表明具有更大的传播活性。在诱导期的测量中观察到这些结构效应的相反趋势。铝配合物配体上的这些特征有助于促进向烷氧基铝的转化过程。总体催化性能应同时考虑诱导期和传播​​时间。
• Synthesis and characterization of ruthenium compounds incorporating keto-amine ligands. The applications of catalytic transfer hydrogenation and cancer cell inhibition
  作者：Tzung-Han Lin、Kuheli Das、Amitabha Datta、Wohn-Jenn Leu、Hung-Chang Hsiao、Chia-Her Lin、Jih-Hwa Guh、Jui-Hsien Huang

  DOI：10.1016/j.jorganchem.2016.01.029

  日期：2016.4

  R = C6H4-2-OMe-5-Me) in moderate yield. The ruthenium derivatives effectively catalyzed the conversion rate in transfer hydrogenation of substituted acetophenone. The molecular structures of 2, 6–10 were determined by single crystal X-ray diffractometry in the solid state, revealing a four-coordination environment around the Ru atom. The potential anti-cancer activity of ruthenium derivatives against human hormone-refractory

  一系列酮-胺二齿前体的1 - 5，OCCH 3 CHCCH 3 NHR（其中1，R = C 6 H ^ 3 -2,6-我镨2 ; 2，R = C 6 H ^ 2 -2,4,6- -Me 3；3，R ＝ C 6 H 4 -2- t Bu；4，R ＝ C 6 H 4 -2-OMe；5，R ＝ C 6 H 4 -2-OMe-5-Me）并用的[Ru组合（ɳ 6-p -cymene）氯2 ] 2，以产生单体芳烃-钌衍生物，的[Ru（ɳ 6 -p -cymene）（OCCH 3 CHCCH 3 NR）氯]（其中6，R = C 6 H ^ 3 -2， 6- i Pr 2；7，R = C 6 H 2 -2,4,6-Me 3；8，R = C 6 H 4 -2- t Bu；9，R = C 6 H 4 -2-OMe ; 10，R = C 6 H4 -2-OMe-5-Me），产量中等。钌衍生物有效催化了取代苯乙酮
• Synthesis and structural characterisation of novel linked bis(β-diketiminato) rare earth metal complexes
  作者：Daniela V. Vitanova、Frank Hampel、Kai C. Hultzsch

  DOI：10.1039/b501930c

  日期：——

  Rare earth metal complexes based on novel linked bis(β-diketiminato) ligands have been prepared via amine elimination and their structural characterisation revealed that the linker unit has significant influence on the geometry and coordination mode of the ancillary ligand.

  基于新型联结双（β-二酮亚胺）配体的稀土金属配合物通过胺消除反应制备得到，其结构表征揭示了联结单元对辅助配体的几何构型和配位方式具有显著影响。
• 옥소-질화된 철 착물, 상기 옥소-질화된 철 착물을 포함하는 촉매 시스템, 및 컨쥬게이션된 디엔의 (공)중합을 위한 방법
  申请人：VERSALIS S.p.A. 베르살리스 에스.피.에이.(520020355824)

  公开号：KR20190015189A

  公开（公告）日：2019-02-13

  본 발명은 하기 일반식 (I) 또는 (II)를 갖는 옥소-질화된 철 착물에 관한 것이다. 상기 일반식 (I) 또는 (II)를 갖는 옥소-질화된 철 착물은 컨쥬게이션된 디엔의 (공)중합을 위한 촉매 시스템에서 유리하게 사용될 수 있다: 상기 식에서, R 및 R는 동일하거나 상이하고, 수소 원자를 나타내거나; 선형 또는 분지형, 임의적으로 할로겐화된 C-C, 바람직하게, C-C, 알킬 기, 임의적으로 치환된 사이클로알킬 기, 임의적으로 치환된 아릴 기로부터 선택되며; R은 동일하거나 상이하고, 수소 원자를 나타내거나; 선형 또는 분지형, 임의적으로 할로겐화된 C-C, 바람직하게, C-C, 알킬 기, 임의적으로 치환된 사이클로알킬 기, 임의적으로 치환된 아릴 기로부터 선택되며; X 및 X는 동일하거나 상이하고, 할로겐 원자, 예를 들어, 예컨대, 염소, 브롬, 요오드를 나타내거나; 선형 또는 분지형 C-C, 바람직하게, C-C, 알킬 기, -OCOR 기 또는 -OR 기로부터 선택되며, 여기서, R는 선형 또는 분지형 C-C, 바람직하게, C-C, 알킬 기로부터 선택된다.

  This invention relates to ferrous oxo-nitrido complexes having the general formula (I) or (II). The ferrous oxo-nitrido complexes having the general formula (I) or (II) can be advantageously used in a catalytic system for the polymerization of conjugated dienes. In the above formula, R and R' are the same or different, representing hydrogen atoms or linear or branched, optionally halogenated C-C, preferably C-C alkyl, optionally substituted cycloalkyl, or optionally substituted aryl groups; R is the same or different, representing hydrogen atoms or linear or branched, optionally halogenated C-C, preferably C-C alkyl, optionally substituted cycloalkyl, or optionally substituted aryl groups; X and X' are the same or different, representing halogen atoms such as chlorine, bromine, iodine, or linear or branched C-C, preferably C-C alkyl, -OCOR, or -OR groups, where R is selected from linear or branched C-C, preferably C-C alkyl.