3-diethylcarbamoyloxy-estra-1,3,5(10)-trien-17-one | 62899-56-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3-diethylcarbamoyloxy-estra-1,3,5(10)-trien-17-one
• 英文别名: 3-Diaethylcarbamoyloxy-oestra-1,3,5(10)-trien-17-on
• CAS: 62899-56-3
• 化学式: C₂₃H₃₁NO₃
• 分子量: 369.504
• InChiKey: GCJNQNKRBPGUSE-UGTOYMOASA-N

物化性质

• 沸点：
  502.1±50.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-碘代苯乙酮 、 3-diethylcarbamoyloxy-estra-1,3,5(10)-trien-17-one 在 silver(I) acetate 、 palladium diacetate 、 三氟乙酸 作用下， 反应 18.0h， 以50%的产率得到
  参考文献：
  名称：

  钯催化的氨基甲酸酯保护的雌激素的邻位芳基化

  摘要：

  氨基甲酸二乙酯保护的雌酮和雌三醇与芳基碘化物的钯催化邻位芳基化，得到2-芳基化的类似物。随后除去氨基甲酸酯导向基团，根据所使用的方法提供2-芳基化的雌酮，雌二醇或雌三醇。

  DOI：

  10.1021/acs.joc.6b00532
• 作为产物：
  描述：

  雌酚酮 、 N,N-二乙基氯甲酰胺 在 吡啶 、 三乙胺 作用下， 反应 18.0h， 以98%的产率得到3-diethylcarbamoyloxy-estra-1,3,5(10)-trien-17-one
  参考文献：
  名称：

  钯催化的氨基甲酸酯保护的雌激素的邻位芳基化

  摘要：

  氨基甲酸二乙酯保护的雌酮和雌三醇与芳基碘化物的钯催化邻位芳基化，得到2-芳基化的类似物。随后除去氨基甲酸酯导向基团，根据所使用的方法提供2-芳基化的雌酮，雌二醇或雌三醇。

  DOI：

  10.1021/acs.joc.6b00532

文献信息

• DE2629657
  申请人：——

  公开号：——

  公开（公告）日：——
• Phantoms for Cross-Calibration of Dual Energy X-ray Absorptiometry Measurements in Infants
  作者：Mouhanad Hammami、Jean-Charles Picaud、Christoph Fusch、Elaine M. Hockman、Jacques Rigo、Winston W.K. Koo

  DOI：10.1080/07315724.2002.10719230

  日期：2002.8

  Objective: To test the suitability of phantoms to cross-calibrate body composition measurements in small subjects among different dual energy X-ray absorptiometry (DXA) instruments.Methods: A set of four phantoms with total weights 1520g, 3140g, 4650g and 7490g were made with low cost and easily available materials. Each phantom was made from assembling polyethylene bottles (100 to 1000 mL) filled with either pure olive oil or electrolyte solution in different combinations, and borosilicate tubes (3 and 5 mL) and flexible polypropylene tubing filled with calcium carbonate. Triplicate measurements of each of the four phantoms were performed with three pencil beam densitometers made by the same manufacturer (Hologic Inc., Waltham, MA): two QDR 2000 (University of Liege, Liege, Belgium, and Wayne State University, Detroit, Michigan) and a QDR1500 (University Children's Hospital, Greifswald, Germany) using infant whole body-scanning mode and analyzed with software V5.73P.Results: DXA measured total weight, or bone, lean and fat masses, from one center were highly predictive of DXA measurements from the other centers with an adjusted r(2) of 0.94 to 1.00, p < 0.001. This was the case whether the measurements from single scan or from average of triplicate scans were used in the analysis.Conclusions: Systematic corrections, in the form of linear transformations, are possible to allow comparison of clinical data generated from different centers. Different size phantoms can be made to accommodate the varying range of weights and body composition of study subjects.