3-bromo-4-oxo-2,4-diphenyl-butyric acid methyl ester | 6267-06-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-bromo-4-oxo-2,4-diphenyl-butyric acid methyl ester
• 英文别名: 3-Brom-4-oxo-2,4-diphenyl-buttersaeure-methylester；β-Brom-α-phenyl-β-benzoyl-propionsaeure-methylester；3-Brom-2-phenyl-3-benzoyl-propionsaeure-methylester；Methyl 3-bromo-4-oxo-2,4-diphenylbutanoate
• CAS: 6267-06-7
• 化学式: C₁₇H₁₅BrO₃
• 分子量: 347.208
• InChiKey: NHCIONQNUCGXOA-UHFFFAOYSA-N

物化性质

• 沸点：
  438.6±45.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-bromo-4-oxo-2,4-diphenyl-butyric acid methyl ester 在 氢氧化钾 、 盐酸羟胺 作用下， 生成 3,5-diphenyl-[1,2]oxazin-6-one
  参考文献：
  名称：

  Kohler, Goodwin, Journal of the American Chemical Society, 1927, vol. 49, p. 222

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 甲醇 作用下， 生成 3-bromo-4-oxo-2,4-diphenyl-butyric acid methyl ester
  参考文献：
  名称：

  Kohler, Goodwin, Journal of the American Chemical Society, 1927, vol. 49, p. 222

  摘要：

  DOI：

文献信息

• The Reactions of Certain Gamma Ketonic Acids. I. Ketonic Beta Lactones
  作者：E. P. Kohler、R. H. Kimball

  DOI：10.1021/ja01318a061

  日期：1934.3
• Point of care and central laboratory determinations of the aPTT are not interchangeable in surgical intensive care patients
  作者：Martine Ferring、Guido Reber、Philippe de Moerloose、Paolo Merlani、Marc Diby、Bara Ricou

  DOI：10.1007/bf03020384

  日期：2001.12

  Purpose: The objective of the study was to compare a bedside whole blood activated partial thromboplastin time (aPTT) performed by a point of care (POC) apparatus (CoaguCheck (R) Pro) in surgical intensive care (SIC) patients with a conventional aFTT obtained from the central laboratory.Methods: The prospective concomitant measurements of the two aPTT were performed in 233 samples from 46 consecutive patients admitted after cardiovascular or major abdominal surgery.Results: Inter-operator, inter-instrument and inter-cartridge variability of the new device measured in three healthy volunteers and in nine patients in stable condition (controls) was low (F test: P=0.86). The agreement by Bland and Altman between POC and central laboratory aPTT (-20.2 +/- 18.8 sec) was not satisfactory. The agreement between POC and central laboratory aPTT in patients after surgery was worst (-17 +/- 33.1 sec). Heparin treatment or timing of blood sampling after intensive care admission (< 48 hr Ys > 48 hr) did not influence the agreement. The correlation between POC or central laboratory aPTT and anti-factor Xa activity was poor (r(2) 0.077 and 0.181 respectively). The test which correlated the best to heparin doses was anti-factor Xa activity (r(2) 0.714),Conclusion: POC aPTT and central laboratory aPTT showed a poor agreement in SIC patients admitted after surgery, although in healthy volunteers or in control patients, this agreement was better. The best test to monitor heparin treatment in this setting was anti-factor Xa activity.
• Kohler, Goodwin, Journal of the American Chemical Society, 1927, vol. 49, p. 222
  作者：Kohler, Goodwin

  DOI：——

  日期：——