α-Acetyl-acetylacetanilid | 18629-85-1

• 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: α-Acetyl-acetylacetanilid
• 英文别名: Diacetyl acetanilide；2-acetyl-3-oxo-N-phenylbutanamide
• CAS: 18629-85-1
• 化学式: C₁₂H₁₃NO₃
• mdl: MFCD19302614
• 分子量: 219.24
• InChiKey: IZUUCZZWIFAMOW-UHFFFAOYSA-N

物化性质

• 沸点：
  416.7±35.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  α-Acetyl-acetylacetanilid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-乙酰乙酰苯胺
  参考文献：
  名称：

  Dieckmann; Hoppe; Stein, Chemische Berichte, 1904, vol. 37, p. 4633

  摘要：

  DOI：
• 作为产物：
  描述：

  N-二苯尿烷 在 乙醚 、 phosphorus pentoxide 作用下， 170.0 ℃ 、13.33 kPa 条件下， 生成 α-Acetyl-acetylacetanilid
  参考文献：
  名称：

  Michael, Chemische Berichte, 1905, vol. 38, p. 33

  摘要：

  DOI：

文献信息

• Organometallic reactions. Part XII. Addition reactions catalysed by organolead compounds
  作者：Alwyn G. Davies、R. J. Puddephatt

  DOI：10.1039/j39680001479

  日期：——

  isocyanates. The lead alkoxides also catalyse the trimerisation of isocyanates, and the geometrical isomerisation of esters of maleic, methoxymaleic, and methoxyfumaric acids. The mechanisms of these reactions are discussed.

  三烷基铅醇盐已显示出催化将甲醇加至异氰酸丁酯，二-1-萘基碳二亚胺，三氯乙腈，丙烯​​腈和乙酰二羧酸二甲酯，丙二酸二乙酯至丙烯腈，丙二酸二乙酯，乙酰丙酮和乙酰乙酸乙酯异氰酸芳基酯。铅的醇盐还催化异氰酸酯的三聚和马来酸，甲氧基马来酸和甲氧基富马酸的酯的几何异构化。讨论了这些反应的机理。
• Bis(acetylacetonato)metal(II)-Catalyzed Addition of Acceptor Molecules to Acetylacetone
  作者：Kaku Uehara、Yoshiyuki Ohashi、Makoto Tanaka

  DOI：10.1246/bcsj.49.1447

  日期：1976.5

  Bis(acetylacetonato)metal(II) (M(acac)2) showed an effective catalytic activity for the addition of various acceptor molecules to acetylacetone to give 3-substituted 2,4-pentanediones.

  双(乙酰丙酮)金属(II) (M(acac)2)对于将各种受体分子加成到乙酰丙酮上以得到3-取代的2,4-戊二酮表现出有效的催化活性。
• Fungicidal carboxamidopyrazoles
  申请人：Commonwealth Scientific and Industrial Research Organization

  公开号：US04214090A1

  公开（公告）日：1980-07-22

  Fungicidal 4- and 5-pyrazolecarboxamides of the formula ##STR1## wherein one of R.sup.1 and R.sup.2 is the group --CONHR.sup.5 in which R.sup.5 is phenyl optionally substituted with one, two or three substituents independently chosen from the group consisting of alkyl, alkoxy, halogen, trifluoromethyl, nitro and cyano; R.sup.3 is chosen from the group consisting of hydrogen, alkyl, hydroxyalkyl, phenyl and --CH.sub.2 COOR.sup.6 wherein R.sup.6 is alkyl; R.sup.4 and R.sup.1 or R.sup.2, whichever is not --CONHR.sup.5, are independently chosen from the group consisting of hydrogen, halogen, and alkyl; R.sup.2 and R.sup.4 are not both hydrogen when R.sup.1 is --CONHR.sup.5 ; R.sup.1 and R.sup.3 are not both hydrogen when R.sup.2 is --CONHR.sup.5 ; and R.sup.2, R.sup.3 and R.sup.4 are not each methyl when R.sup.1 is --CONHR.sup.5 and R.sup.5 is phenyl.

  式为##STR1##的4-和5-吡唑羧酰胺类杀菌剂，其中R.sup.1和R.sup.2中的一个是--CONHR.sup.5基团，其中R.sup.5是苯基，可选地被一个、两个或三个取自烷基、烷氧基、卤素、三氟甲基、硝基和氰基的取代基独立地取代；R.sup.3来自于由氢、烷基、羟基烷基、苯基和--CH.sub.2 COOR.sup.6（其中R.sup.6是烷基）组成的群；R.sup.4和R.sup.1或R.sup.2（不是--CONHR.sup.5的那个基团）独立地取自于氢、卤素和烷基的取代基；当R.sup.1为--CONHR.sup.5时，R.sup.2和R.sup.4不能同时为氢；当R.sup.2为--CONHR.sup.5时，R.sup.1和R.sup.3不能同时为氢；当R.sup.1为--CONHR.sup.5且R.sup.5为苯基时，R.sup.2、R.sup.3和R.sup.4不能同时为甲基。
• Compounds and compositions
  申请人：——

  公开号：US04134987A1

  公开（公告）日：1979-01-16

  Fungicidal compositions comprising as an active ingredient a compound of the general formula I ##STR1## wherein either R.sup.1 or R.sup.2 is the group ##STR2## in which X is an oxygen atom or a sulphur atom and R.sup.5 is straight chain alkyl group of 1 to 8 carbon atoms, branched chain alkyl group of 1 to 8 carbon atoms, cyclic alkyl group of 3 to 8 carbon atoms, alkenyl group, alkynyl group, hydroxyalkyl group phenyl group or a mono-, di- or tri- substituted phenyl group with substituents, which may be the same or different, chosen from the group consisting hydrogen alkyl, alkenyl, alkynyl, hydroxyalkyl, alkoxy, phenyl, halogen, trifluoromethyl, thiocyanate, nitro, cyano, amino, carboxy, alkoxycarbonyl, carbamoyl, N-alkylcarbamoyl and N,N-dialkylcarbamoyl; when R.sup.1 is the group ##STR3## then R.sup.3 is hydrogen, alkyl, alkenyl alkynyl, hydroxyalkyl, phenyl, CH.sub.2 CF.sub.3 or the group --CH.sub.2 COOR.sup.6 wherein R.sup.6 is alkyl, phenyl or substituted phenyl, and R.sup.2 and R.sup.4, which may be the same or different, are hydrogen, alkyl, alkenyl, alkynyl, hydroxalkyl, alkoxy, phenyl, halogen, trifluoromethyl, thiocyanate, nitro, cyano, amino, carboxy, alkoxycarbonyl, carbamoyl, N,alkylcarbamoyl, N,N-dialkylcarbamoyl, hydroxy or mercapto provided that R.sup.2 and R.sup.4 are not both hydrogen, hydroxy or mercapto; when R.sup.2 is the group ##STR4## then R.sup.3 is hydrogen, alkyl, alkenyl, alkynyl, hydroxyalkyl, phenyl or substituted phenyl, and R.sup.1 and R.sup.4, which may be the same or different, are hydrogen, alkyl, alkenyl, hydroxyalkyl, alkoxy, phenyl, substituted phenyl, halogen, trifluoromethyl, thiocyanate, nitro, cyano, amino, carboxy, alkoxycarbonyl, carbamoyl, N-alkylcarbamoyl, N,N-dialkylcarbamoyl, hydroxy or mercapto, provided that R.sup.1 and R.sup.3 are not both hydrogen and provided that R.sup.1 and R.sup.4 are not both hydroxy or mercapto; and an inert carrier material therefor.

  杀真菌组合物包含一种以通式I表示的化合物作为活性成分： ##STR1## 其中R1或R2为以下基团之一： ##STR2## 其中X为氧原子或硫原子，R5为1至8个碳原子的直链烷基，1至8个碳原子的支链烷基，3至8个碳原子的环烷基，烯基，炔基，羟基烷基，苯基或单取代、双取代或三取代苯基，所述取代基在氢基、烷基、烯基、炔基、羟基烷基、烷氧基、苯基、卤素、三氟甲基、硫氰酸根、硝基、氰基、氨基、羧基、烷氧羰基、氨基甲酰基、N-烷基氨基甲酰基和N,N-二烷基氨基甲酰基中选择，且所述取代基可以相同或不同；当R1为以下基团之一： ##STR3## 则R3为氢、烷基、烯基、炔基、羟基烷基、苯基、CH2CF3或基团--CH2COOR6，其中R6为烷基、苯基或取代苯基，而R2和R4可以相同或不同，它们为氢、烷基、烯基、炔基、羟基烷基、烷氧基、苯基、卤素、三氟甲基、硫氰酸根、硝基、氰基、氨基、羧基、烷氧羰基、氨基甲酰基、N-烷基氨基甲酰基和N,N-二烷基氨基甲酰基，羟基或巯基，但R2和R4不能同时为氢、羟基或巯基；当R2为以下基团之一： ##STR4## 则R3为氢、烷基、烯基、炔基、羟基烷基、苯基或取代苯基，R1和R4可以相同或不同，它们为氢、烷基、烯基、羟基烷基、烷氧基、苯基、取代苯基、卤素、三氟甲基、硫氰酸根、硝基、氰基、氨基、羧基、烷氧羰基、氨基甲酰基、N-烷基氨基甲酰基、N,N-二烷基氨基甲酰基、羟基或巯基，但R1和R3不能同时为氢，且R1和R4不能同时为羟基或巯基；以及惰性载体材料。
• Curcumin analogues as zinc chelators and their uses
  申请人：Johnson Francis

  公开号：US10669227B2

  公开（公告）日：2020-06-02

  This invention provides a compound having the structure wherein α, β, X, Y, and R1-R11 are defined herein. This invention also provides a pharmaceutical composition comprising the above compounds, a method of inhibiting the activity and/or levels of a matrix metalloproteinase (MMP), a method of inhibiting the production of a cytokine in a population of cells, a method of inhibiting the production of a growth factor in a population of cells, and a method of inhibiting NFκ-B activation in a population of cells.

  本发明提供了一种具有以下结构的化合物 其中 α、β、X、Y 和 R1-R11 在本文中定义。本发明还提供了一种包含上述化合物的药物组合物、一种抑制基质金属蛋白酶（MMP）活性和/或水平的方法、一种抑制细胞群中细胞因子产生的方法、一种抑制细胞群中生长因子产生的方法以及一种抑制细胞群中 NFκ-B 激活的方法。