3-Oxo-17β-acetoxy-androsten-(5) | 5252-16-4

• 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-Oxo-17β-acetoxy-androsten-(5)
• 英文别名: 17β-acetoxy-androst-5-en-3-one；17β-Acetoxy-androst-5-en-3-on；[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
• CAS: 5252-16-4
• 化学式: C₂₁H₃₀O₃
• 分子量: 330.467
• InChiKey: XKXZAQVGNFHXOT-PXQJOHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-Oxo-17β-acetoxy-androsten-(5) 在 bis(triphenylphosphine) palladium (Il) acetate 哌啶 、 2,6-二叔丁基-4-甲基吡啶 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 Acetic acid (8R,9S,10R,13S,14S,17S)-3-(3,3-dimethyl-but-1-ynyl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl ester
  参考文献：
  名称：

  Palladium-Catalyzed Reaction of Enol Triflates with 1-Alkynes. A New Route to Conjugated Enynes

  摘要：

  在碱和双[三苯基膦]-二乙酸钯（II）作为催化剂的存在下，在 60°C 的温度下，三羟基烯醇与 1-炔的交叉偶联能以良好的收率生成共轭炔。加入碘化铜（I）作为辅助催化剂，可使反应在室温下进行。

  DOI：

  10.1055/s-1986-31599
• 作为产物：
  描述：

  雄烯二醇17-乙酸酯 在 溴 、 溶剂黄146 作用下， 生成 3-Oxo-17β-acetoxy-androsten-(5)
  参考文献：
  名称：

  Classification of Mediterranean vegetation by TM and ancillary data for the evaluation of fire risk

  摘要：

  Mediterranean vegetation is strongly subjected to the risk of wildfires, which can become a major cause of land degradation. The knowledge of the spatial variations of this risk is essential, therefore, for forest resource management. Relying on the fact that different vegetation types can be associated with different risk levels, a classification approach based on the use of Landsat Thematic Mapper ( TM) scenes is currently proposed for the generation of maps related to fire risk. Hard and fuzzy classifications were tested for this purpose on Elba island (central Italy), taking into account the effects of the use of scenes from different periods (spring and summer) and of ancillary data. The fire risk images obtained were evaluated by comparison with the fire events that occurred on the island during the last decade. The results show that, while the acquisition period has only minor effects, classification accuracy is strongly dependent on the inclusion of ancillary data. Moreover, the fuzzy approach better exploits the information of the integrated datasets, producing maps which are temporally stable and highly indicative of the fire risk in the study area.

  DOI：

  10.1080/014311600750019912

文献信息

• Photochemische Reaktionen. 52. Mitteilung [1]. Zur Photochemie von ?,?-unges�ttigten cyclischen Ketonen: Spezifische Reaktionen dern,?*- und ?,?*-Triplettzust�nde von O-Acetyl-testosteron und 10-Methyl-?1,9-octalon-(2)
  作者：D. Bellu?、D. R. Kearns、K. Schaffner

  DOI：10.1002/hlca.19690520414

  日期：——

  testosterone (1) and 10-methyl-Δ1,9-octalone-(2) (24) has been investigated in detail. The choice of reaction paths of both ketones depends strongly on the solvent used. In t-butanol, a photostationary equilibrium 1 ⇄ 3 is reached which is depleted solely by the parallel rearrangement 1 5 (Chart 1; for earlier results on these reactions see [2a] [6] [7]). In benzene, double bond shift 1 16 (Chart 3)

  共轭环己烯酮O-乙酰基睾酮（的光化学1）和10-甲基Δ 1,9 -octalone-（2）（24）进行了详细调查。两种酮的反应路径的选择在很大程度上取决于所用的溶剂。在叔丁醇中，达到了光平稳平衡1 solely 3，该平衡仅由平行重排1 5耗尽（图1；有关这些反应的更早结果，请参见[2a] [6] [7]）。在苯中，发生双键移位1 16（图3），这是由于作为主要的光化学过程，被激发的酮的氧从基态酮中夺取了氢。在甲苯中，主要反应是通过向烯酮的β-碳中加氢而引入溶剂（图17 1，图4），伴随着双键转移和作为次要反应的饱和二氢酮的形成。与先前的报道[19]部分相反，双环烯酮24的光化学转化表现出相似的溶剂依赖性。相应的产品25 – 29汇总在表5和表1中。
• Palladium-catalysed vinylation of enol triflates
  作者：Sandro Cacchi、Enrico Morera、Giorgio Ortar

  DOI：10.1016/s0040-4039(01)80230-6

  日期：1984.1
• Bucourt,R.; Dube,J., Bulletin de la Societe Chimique de France, 1974, p. 479 - 483
  作者：Bucourt,R.、Dube,J.

  DOI：——

  日期：——