estradiol 3,17a-benzoate | 88722-94-5

• 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: estradiol 3,17a-benzoate
• 英文别名: estratriene-(A)-diyl-(3.17α)-dibenzoate；Oestratrien-(A)-diyl-(3.17α)-dibenzoat；(17α)-estra-1,3,5(10)-triene-3,17-diol, dibenzoate；[(8R,9S,13S,14S,17R)-3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate
• CAS: 88722-94-5
• 化学式: C₃₂H₃₂O₄
• 分子量: 480.604
• InChiKey: QSEBTTYLHXQXSF-IOTTWRDDSA-N

物化性质

• 沸点：
  609.441±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.238±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  estradiol 3,17a-benzoate 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Mapping land use/cover distribution on a mountainous tropical island using remote sensing and GIS

  摘要：

  The land use/cover distribution on Langkawi Island, Malaysia was mapped using remote sensing and a Geographic Information System (CIS). A Landsat Thematic Mapper (TM) satellite image taken in March 1995 was processed, geocorrected and analysed using IDRISI, raster-based GIS software. An unsupervised classification was performed based on spectral data from a composite image of the bands TM3, TM4 and TM5. Using this output, field data together with available secondary data consisting of topography, land use and soil maps were used to perform a maximum likelihood supervised classification. The overall accuracy of the output image was 90% and individual class accuracy ranged from 74% for rubber to 100% for paddy fields. The classified areas on the image were mainly confined to the mountainous and hilly regions on the island. A shaded relief map, simulating sunshine conditions, showed that the unclassified areas are located in the shadowed slopes, i.e. the slopes facing west. Consequently, the imagery was subdivided on the basis of slope aspect and a stratified classification was performed. As a result of this procedure, the overall accuracy increased to 92% and the individual class accuracy for the inland forest class increased by 9% to 90%. Using IDRISI, individual class areas as well as percentages were calculated The kappa coefficient for the classified image was 0.90. Qualitative analysis indicates that topography is the main control on the spatial distribution of land use/cover types on the island. As Langkawi Island has been developing rapidly over the last decade, successful planning will require reliable information about land use/cover distribution and change. This study illustrates that remote sensing and GIS techniques are capable of providing such information.

  DOI：

  10.1080/01431160119220
• 作为产物：
  描述：

  苯甲酸雌二醇 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.75h， 生成 estradiol 3,17a-benzoate
  参考文献：
  名称：

  全氟烷基磺酰氟在有机合成中的应用：17α-羟基类固醇的简便合成

  摘要：

  据报道，以全氟烷基磺酰氟为羟基活化剂可轻松合成17α-羟基类固醇。该方法具有温和（40°C），快速（0.5 h），高收率和高官能团耐受性的特点。值得注意的是，该方法适用于HCOOH和CF 3 COOH，它们是羟基转化反应中不常见的和合成上有用的亲核试剂。

  DOI：

  10.1016/j.tetlet.2015.05.026

文献信息

• Benzoyl trifluoromethanesulphonate. A highly efficient benzoylating agent for sterically hindered hydroxy groups
  作者：Masato Koreeda、Lindsey Brown

  DOI：10.1039/c39830001113

  日期：——

  Reactions of benzoyl trifluoromethanesulphonate (BzOTf) with a variety of alcohols, including some with sterically hindered secondary and tertiary hydroxy goups, with phenolic compounds, and with 1,2-diols at low temperatures provide the corresponding benzoates in high yield.

  苯甲酰基三氟甲磺酸酯（BzOTf）与多种醇（包括一些具有空间位阻的仲和叔羟基基团），酚类化合物和1,2-二醇在低温下的反应可提供高收率的相应苯甲酸酯。
• Benzoyl trifluoromethanesulfonate. A mild reagent for the benzoylation of sterically hindered hydroxyls
  作者：Lindsey Brown、Masato Koreeda

  DOI：10.1021/jo00195a001

  日期：1984.10