beta-氧代-gamma-苯基-苯丁酸乙酯 | 25022-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: beta-氧代-gamma-苯基-苯丁酸乙酯
• 英文名称: 4,4-diphenyl-acetoacetic acid ethyl ester
• 英文别名: 4,4-Diphenyl-acetessigsaeure-aethylester；2-Oxo-4,4-diphenyl-buttersaeure-aethylester；3-Keto-4,4-diphenyl-butansaeureaethylester；4,4-Diphenyl-acetessigsaeure-ethylester；Ethyl 3-oxo-4,4-diphenylbutanoate
• CAS: 25022-02-0
• 化学式: C₁₈H₁₈O₃
• 分子量: 282.339
• InChiKey: BGJHHKOHPAAEBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  beta-氧代-gamma-苯基-苯丁酸乙酯 在 三乙烯二胺 作用下， 以 xylene 为溶剂， 反应 5.0h， 生成 1,1-二苯基丙酮
  参考文献：
  名称：

  Inhibitors of acyl-CoA:cholesterol acyltransferase. 5. Identification and structure-activity relationships of novel .beta.-keto amides as hypocholesterolemic agents

  摘要：

  A study of structure-activity relationships of substituted beta-ketoamide ACAT inhibitors I and II was performed. The results of this study suggest that whereas the beta-keto group was tolerated with no loss in activity, beta-hydroxy and oxime moieties led to significantly reduced activity in vitro and in vivo. The most potent inhibitor from the acyclic series (I) (11, IC50 = 0.006 muM) contained a C-13 alkyl chain. This compound reduced plasma total cholesterol by 38% and 66% at 3 and 30 mg/kg, respectively, in cholesterol-fed rats. Dimethylation alpha to the anilide core(5) and subsequent N-methylation of the amide NH (6) decreased in vitro potency significantly. It was also found that high potency was retained with inhibitors which incorporated the carbonyl into a lactam ring (II).

  DOI：

  10.1021/jm00072a014
• 作为产物：
  描述：

  ethyl 3-amino-4,4-diphenylbut-2-enoate 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以98%的产率得到beta-氧代-gamma-苯基-苯丁酸乙酯
  参考文献：
  名称：

  Efficient synthesis and biological evaluation of two modafinil analogues

  摘要：

  Non classical bioisosters of modafinil featuring interesting biological pro. le have been easily produced through replacement of the sulfoxide function with a carbonyl group and modification of the carboxylic acid amide functionality. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.027

文献信息

• Syntheses and antimicrobial activities of 3-acyltetramic acid derivatives.
  作者：KEIZO MATSUO、MASAHIDE KIMURA、TOSHIYUKI KINUTA、NORIKO TAKAI、KUNIYOSHI TANAKA

  DOI：10.1248/cpb.32.4197

  日期：——

  3-Acyltetramic acids having various substituents at the 1-and 5-positions, and possessing a tricarbonylmethane structure, were synthesized and tested for antimicrobial activity to investigate the structure-activity relationships. It was found that the nature of the substituents at the 1-and 5-positions as well as the 3-position is an important factor for activity to inhibit the growth of Bacillus subtillis and Staphylococcus aureus.

  合成了具有不同取代基的3-酰基四氟酸，并且具有三羰基甲烷结构，测试其抗菌活性以研究结构-活性关系。研究发现，1位和5位以及3位取代基的性质是抑制枯草芽孢杆菌和金黄色葡萄球菌生长活性的重要因素。
• Surface film with depositing function, the production and use thereof
  申请人：Schmiedel Peter

  公开号：US20050049328A1

  公开（公告）日：2005-03-03

  The invention relates to a composition, comprising at least water, a porous particulate polymer, or a mixture of two or more such polymers and at least one water-soluble or water-dispersible hydrophilic compound with a molecular weight of less than 1000, or a mixture of two or more thereof.

  本发明涉及一种组合物，至少包含水、多孔微粒聚合物或两种或两种以上此类聚合物的混合物，以及至少一种分子量小于 1000 的水溶性或水分散性亲水化合物，或其中两种或两种以上的混合物。
• Huisgen,R. et al., Chemische Berichte, 1969, vol. 102, p. 3405 - 3427
  作者：Huisgen,R. et al.

  DOI：——

  日期：——
• MATSUO, KEIZO;KIMURA, MASAHIDE;KINUTA, TOSHIYUKI;TAKAI, NORIKO;TANAKA, KU+, CHEM. AND PHARM. BULL., 1984, 32, N 10, 4197-4204
  作者：MATSUO, KEIZO、KIMURA, MASAHIDE、KINUTA, TOSHIYUKI、TAKAI, NORIKO、TANAKA, KU+

  DOI：——

  日期：——
• Libermann; Hengl, Bulletin de la Societe Chimique de France, 1951, p. 974
  作者：Libermann、Hengl

  DOI：——

  日期：——