(3Z)-3-(1-羟基乙亚基)-1-苯基-2,4-吡咯烷二酮 | 719-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: (3Z)-3-(1-羟基乙亚基)-1-苯基-2,4-吡咯烷二酮
• 英文名称: 3-acetyl-1-phenyl-pyrrolidine-2,4-dione
• 英文别名: 3-Acetyl-1-phenyl-pyrrolidin-2,4-dion；3-Acetyl-1-phenylpyrrolidine-2,4-dione
• CAS: 719-86-8
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: QBKVVMUXEOBMLS-UHFFFAOYSA-N

物化性质

• 熔点：
  145-146 °C
• 沸点：
  483.3±45.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,N
• 安全说明：
  S22,S36/37,S61
• 危险类别码：
  R51/53,R48/22

反应信息

• 作为反应物：
  描述：

  (3Z)-3-(1-羟基乙亚基)-1-苯基-2,4-吡咯烷二酮 在 肼 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Novel pyrazole fused heterocyclic ligands: Synthesis, characterization, DNA binding/cleavage activity and anti-BVDV activity

  摘要：

  A series of novel pyrazole fused heterocyclic derivatives were synthesized via a two-step procedure or a one-pot two step method, and their catalytic DNA cleavage abilities and anti-BVDV activities were also evaluated. The results obtained indicated that compounds 3b-3c could catalyze the cleavage of supercoiled DNA (pUC 19 plasmid DNA) to nicked DNA under physiological conditions with high yields via a hydrolytic mechanism. The studies on anti-viral activities against bovine viral diarrhea virus (BVDV) demonstrated that some of the pyrazole derivatives showed pronounced anti-BVDV activity with interesting EC50 values and no significant cytotoxicity. Among them, compound 31 showed the highest antiviral activity (EC50 = 0.12 mu mol/L) and was 10 fold more than that of the positive control ribavirin (EC50 = 1.3 mu mol/L), which provided a potential candidate for the development of anti-BVDV agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.01.006
• 作为产物：
  描述：

  N-(1,3-Dioxobutyl)-N-phenylglycine ethyl ester 在 sodium methylate 作用下， 以 甲苯 为溶剂， 生成 (3Z)-3-(1-羟基乙亚基)-1-苯基-2,4-吡咯烷二酮
  参考文献：
  名称：

  Novel pyrazole fused heterocyclic ligands: Synthesis, characterization, DNA binding/cleavage activity and anti-BVDV activity

  摘要：

  A series of novel pyrazole fused heterocyclic derivatives were synthesized via a two-step procedure or a one-pot two step method, and their catalytic DNA cleavage abilities and anti-BVDV activities were also evaluated. The results obtained indicated that compounds 3b-3c could catalyze the cleavage of supercoiled DNA (pUC 19 plasmid DNA) to nicked DNA under physiological conditions with high yields via a hydrolytic mechanism. The studies on anti-viral activities against bovine viral diarrhea virus (BVDV) demonstrated that some of the pyrazole derivatives showed pronounced anti-BVDV activity with interesting EC50 values and no significant cytotoxicity. Among them, compound 31 showed the highest antiviral activity (EC50 = 0.12 mu mol/L) and was 10 fold more than that of the positive control ribavirin (EC50 = 1.3 mu mol/L), which provided a potential candidate for the development of anti-BVDV agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.01.006

文献信息

• B-ketoesters for use as polymer stabilisers
  申请人：AKCROS CHEMICALS

  公开号：EP0881253A1

  公开（公告）日：1998-12-02

  β-Ketoesters derived from alcohols or polyols, which are natural product or can be obtained from natural products by fermentation processes and optional subsequent oxidation or reduction, are suitable for stabilising polymers, The ketoesters are represented by formula 1:         A[(O-CHR4-Z-CHR5)m-O-CO-CR1R2-CO-R3]n wherein: Ais the residue of an alcohol or polyol selected from hydroxyalkanoic acid esters, sugars and their glycosides, sugar alcohols, sugar acids and their esters, and oligosaccharides; mis an integer number from 0 up to 6; nis a number from 1 up to the total number of hydroxyl groups in the polyol; R1is hydrogen, C1-C8 alkyl, C3-C8 alkenyl or cycloalkyl(alkyl) or C6-C8 aryl or aralkyl; R2is hydrogen, C1-C8 alkyl or C3-C8 alkenyl; R3is C1-C18 alkyl, alkoxy or alkylamino, C3-C18 alkenyl, alkanoylmethyl, alkoxycarbonylmethyl or cycloalkyl(alkyl), C6-C18 aryl, aryloxy, arylamino, aralkyl, aralkoxy or aralkylamino, or C8-C18 aroylmethyl, aryloxycarbonylmethyl or arylcarbamoylmethyl; R4 and R5are independently hydrogen or methyl; and Zis a direct bond, CH2, CHOH or CH-O-CO-CR1R2-CO-R3.

  来源于醇或多元醇的β-酮酸酯是天然产物，或者可以通过发酵过程和可选的氧化或还原获得，适用于稳定聚合物。酮酸酯由公式1表示： A[(O-CHR4-Z-CHR5)m-O-CO-CR1R2-CO-R3]n，其中： A是从羟基烷酸酯，糖及其糖苷，糖醇，糖酸及其酯，寡糖中选择的醇或多元醇的残留物; m是从0到6的整数; n是从1到多元醇中羟基总数的数字; R1是氢，C1-C8烷基，C3-C8烯基或环烷基（烷基）或C6-C8芳基或芳基烷基; R2是氢，C1-C8烷基或C3-C8烯基; R3是C1-C18烷基，烷氧基或烷基氨基，C3-C18烯基，烷酰甲基，烷氧羰基甲基或环烷基（烷基），C6-C18芳基，芳氧基，芳基氨基，芳基烷基，芳基烷氧基或芳基烷基氨基，或C8-C18芳香基甲基，芳氧羰基甲基或芳基氨基甲基; R4和R5独立地是氢或甲基; Z是直接键，CH2，CHOH或CH-O-CO-CR1R2-CO-R3。
• Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers
  申请人：Wehner Wolfgang

  公开号：US20090105387A1

  公开（公告）日：2009-04-23

  Stabilizer system for chlorinated polymers, especially PVC, comprising at least one coordination-polymeric triethanolamineperchlorato(triflato)metal inner complex comprising the monomer unit of the formula (A) The stabilizer system may additionally comprise substituted cyanoacetylureas or/and 6-aminouracils or/and 3-aminocrotonic esters or/and hydantoins or/and monomeric or polymeric dihydropyridines or alkaline earth metal hydroxides or/and hydrotalcites or/and dawsonites or/and zeolites or/and glycidyl compounds or/and cyanamides or/and cyanoguanidines or/and melamines. In addition, phosphites or/and sterically hindered amines or/and NOR-HALS compounds may be present.

  氯化聚合物的稳定剂体系，特别是PVC，包括至少一种配位聚合三乙醇胺高氯酸盐（三氟乙酸盐）金属内部络合物，该络合物包括式（A）的单体单位。稳定剂系统还可以包括取代的氰乙酰脲或/和6-氨基尿嘧啶或/和3-氨基巴豆酸酯或/和恒化酮或/和单体或聚合二氢吡啶或碱土金属氢氧化物或/和水滑石或/和道森石或/和沸石或/和环氧丙烷化合物或/和氰胺或/和氰基脲或/和三聚氰胺。此外，磷酸酯或/和立体阻隔胺或/和NOR-HALS化合物也可能存在。
• STABILIZER SYSTEMS FOR POLYMERS CONTAINING HALOGEN
  申请人：Hacker Peter

  公开号：US20110275747A1

  公开（公告）日：2011-11-10

  The present invention relates to a stabilizer system for polymers containing halogen, comprising an alkaline earth metal double carbonate of the formula (A) (M 1 O) m* (M 2 O) n−m* (CO 2 ) o* (H 2 O) p (A) where M 1 and M 2 =various alkaline earth metals; m=from 0.9 to 1.1; n=from 1.9 to 2.1 and p=from 0 to 2.1; or n=from 3.9 to 4.1, and p=from 0 to 4.1; o=from 0 to 1.1 and at least one of the compounds selected from the group consisting of (B) and (C), where (B) is at least one nitrogen-containing organic compound selected from the group consisting of (B1) and (B2), where (B1) is a tert-alkanolamine and (B2) is an enaminone or a urea, and (C) is an alkaline earth metal aluminohydroxocarbonate of the formula (C) (M 1−x Zn x ) y Al 2 (OH) 4+2y CO 3* z H 2 O  (C) where M=magnesium or/and calcium; x=from 0 to 0.5; y=from 2 to 8, and z=from 0 to 12. The present invention further relates to compositions and articles comprising said stabilizer systems, and to processes for stabilizing a polymer containing halogen.

  本发明涉及一种用于含卤素聚合物的稳定剂系统，包括公式（A）的碱土金属双碳酸盐（M1O）m*（M2O）n-m*（CO2）o*（H2O）p（A），其中M1和M2为各种碱土金属；m为0.9至1.1；n为1.9至2.1且p为0至2.1；或n为3.9至4.1且p为0至4.1；o为0至1.1，并且至少选择来自组（B）和（C）的化合物之一，其中（B）是至少一种氮含有机化合物，选择自组（B1）和（B2），其中（B1）是一种叔丙醇胺，（B2）是一种恩酰酮或脲；（C）是一种公式（C）的碱土金属铝酸氢氧碳酸盐（M1−xZnx）yAl2（OH）4+2yCO3*zH2O（C），其中M为镁或/和钙；x为0至0.5；y为2至8，z为0至12。本发明还涉及包含所述稳定剂系统的组合物和制品，以及用于稳定含卤素聚合物的工艺。
• STABILIZER SYSTEM FOR HALOGENATED POLYMERS
  申请人：Dave Trupti

  公开号：US20110129628A1

  公开（公告）日：2011-06-02

  The present invention relates to a stabilizer system for halogenated polymers comprising, as component (A), calcium monocarbonatohydroxodialuminate of the formula (A) Ca m Al 2 (OH) 6+2(m−1) CO 3* n H 2 O  (A), where m=from 3.8 to 4.2, and n=from 0 to 3, and, as component (B), a catena-2,2′,2″-nitrilotrisethanolperchloratolithium or -sodium coordination polymer (B1) with a monomer unit of the formula where Mt=Li or Na, An=OClO 3 and q=1, and/or a quaternary or ternary ammonium or phosphonium perchlorate (B2). The present invention further relates to compositions and articles comprising these stabilizer systems, and to the use of the systems and compositions.

  本发明涉及一种用于卤代聚合物的稳定剂系统，包括组分（A）为化学式（A）CamAl2（OH）6+2（m-1）CO3*nH2O的碳酸氢羟基二铝酸钙，其中m=3.8至4.2，n=0至3，以及组分（B）为具有单体单位的链式2,2′,2″-亚硝基三乙醇钯或-钠配合物（B1）的配氯酸盐聚合物，其化学式为Mt=Li或Na，An=OClO3，q=1，和/或四元或三元铵或磷酸铵高氯酸盐（B2）。本发明还涉及包含这些稳定剂系统的组合物和制品，以及这些系统和组合物的使用。
• STABILIZER MIXTURES FOR HALOGEN-CONTAINING PLASTICS BY UNDERWATER PELLETIZATION
  申请人：Reith Walter

  公开号：US20130005877A1

  公开（公告）日：2013-01-03

  The present invention relates to a process for producing a pelletized stabilizer mixture for halogen-containing plastics, comprising the following steps: (a) heating, at from 40 to 100° C. in an extruder or kneader, a mixture comprising (A) at least one lubricant, (B) at least one substance having stabilizer activity, and (C) auxiliaries and additives, where at least 1% by weight of all of the substances, based on the total amount of the mixture, has a melting point below 100° C., (b) forcing the material through a pelletizing die, (c) carrying out die-face pelletization under water, (d) transporting the pelletized stabilizer mixture away in a stream of water, (e) extracting the pelletized stabilizer mixture from the water, and (f) drying the pelletized stabilizer mixture. The present invention further relates to pelletized stabilizer mixtures producible therefrom, and also to use of these.

  本发明涉及一种用于生产含卤素塑料的颗粒稳定剂混合物的工艺，包括以下步骤：(a)在挤出机或混合器中，在40至100℃下加热混合物，该混合物包括(A)至少一种润滑剂，(B)至少一种具有稳定剂活性的物质，以及(C)辅助剂和添加剂，在其中所有物质的重量百分比，基于混合物的总量，至少有1％的物质的熔点低于100℃，(b)将材料通过颗粒化模具强制压制，(c)在水下进行模面颗粒化，(d)在水流中将颗粒稳定剂混合物运送走，(e)从水中提取颗粒稳定剂混合物，以及(f)干燥颗粒稳定剂混合物。本发明还涉及由此可制备的颗粒稳定剂混合物，以及其使用。