NoName_4364 | 96907-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: NoName_4364
• 英文别名: 5-(4-chlorophenyl)-2-(4-methylphenyl)-1,3-oxazole
• CAS: 96907-64-1
• 化学式: C₁₆H₁₂ClNO
• 分子量: 269.73
• InChiKey: PUZZFKQKQKFWQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基-4’-氯苯乙酮盐酸盐 在 吡啶 、 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 NoName_4364
  参考文献：
  名称：

  取代的2,5-二苯基恶唑中取代基电子效应转移的合成与研究

  摘要：

  DOI：

  10.1007/bf00504199

文献信息

• Direct arylations on water: synthesis of 2,5-disubstituted oxazoles balsoxin and texaline
  作者：Stephan A. Ohnmacht、Patrizia Mamone、Andrew J. Culshaw、Michael F. Greaney

  DOI：10.1039/b719466h

  日期：——

  An efficient two-step palladium catalysed synthesis of 2,5-disubstituted oxazoles is reported.

  报告了一种高效的二步钯催化合成2,5-二取代恶唑的方法。
• ABCA-1 elevating compounds
  申请人：——

  公开号：US20030220356A1

  公开（公告）日：2003-11-27

  The present invention provides compounds that elevate cellular expression of the ABCA-1 gene, promoting cholesterol efflux from cells and increasing HDL levels in the plasma of a mammal, in particular humans. The compounds are useful for treating coronary artery disease.

  本发明提供了一种能够提高ABCA-1基因细胞表达的化合物，促进胆固醇从细胞中流出并增加哺乳动物（尤其是人类）血浆中的高密度脂蛋白水平。这些化合物可用于治疗冠心病。
• Mechanistic Insights into Pincer-Ligated Palladium-Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a Pd^II–Pd^IV–Pd^II Pathway
  作者：Shrikant M. Khake、Rahul A. Jagtap、Yuvraj B. Dangat、Rajesh G. Gonnade、Kumar Vanka、Benudhar Punji

  DOI：10.1021/acs.organomet.6b00003

  日期：2016.3.28

  Pincer-based ((POCNR,2)-P-R2)PdCl complexes, along with CuI cocatalyst catalyze the arylation of azoles with aryl Iodides to give the 2-arylated azole products:Herein; we report an extensive mechanistic investigation for the direct arylation of azoles involving a well-defined and highly efficient ((POCNEt2)-P-iPr2)PdCl (2a) catalyst, which emphasizes a rare Pd-II-Pd-IV-Pd-II redox catalytic pathway. Kinetic studies and deuterium labeling experiments indicate that the C-H bond cleavage on azoles occurs via two distinct routes in, a reversible manner. Controlled reactivity of the catalyst 2a underlines the iodo derivative ((POCNEt2)-P-iPr2)PdI (3a) to be the resting state of the catalyst. The intermediate species ((POCNEt2)-P-iPr2)Pd-benzothiazolyl (4a) has been isolated and structurally, characterized. A determination of reaction rates of compound 4a with electronically different aryl iodides has revealed the kinetic significance of the oxidative addition of the C(sp(2))-X electrophile, aryl iodide, to complex 4a. Furthermore, the reactivity behavior of 4a suggests that the arylation of benzothiazole proceeds via an oxidative addition/reductive elimination pathway involving a ((POCNEt2)-P-iPr2)Pd-IV(benzothiazolyl)(Ar)I species, which is strongly supported by DFT calculations.
• SHVAJKA, O. P.;KORZHENEVSKAYA, N. G.;SNAGOSHCHENKO, L. P., XIMIYA GETEROTSIKL.SOEDIN., 1985, N 2, 193-197
  作者：SHVAJKA, O. P.、KORZHENEVSKAYA, N. G.、SNAGOSHCHENKO, L. P.

  DOI：——

  日期：——
• COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS
  申请人：CV THERAPEUTICS, INC.

  公开号：EP1513534A2

  公开（公告）日：2005-03-16