(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanal | 859214-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,3R)-2,4-dimethyl-3-phenylmethoxypentanal
• CAS: 859214-89-4
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: SEWNUIAYSXVOBI-TZMCWYRMSA-N

物化性质

• 沸点：
  310.9±17.0 °C(Predicted)
• 密度：
  0.974±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S,3R)-2,4-dimethyl-3-phenylmethoxypentanal 、 [(2R,3S,6R)-6-(2-aminooxyethyl)-3-(4-methoxyphenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl N-propylcarbamate 在 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 以91.5%的产率得到Propyl-carbamic acid (2R,3S,6R)-6-{2-[(2R,3R)-3-benzyloxy-2,4-dimethyl-pent-(E)-ylideneaminooxy]-ethyl}-3-(4-methoxy-phenoxy)-3,6-dihydro-2H-pyran-2-ylmethyl ester
  参考文献：
  名称：

  Convergent Synthesis of a Complex Oxime Library Using Chemical Domain Shuffling

  摘要：

  yThe synthesis of a complex hybrid oxime library is reported utilizing convergent ligation of alkoxyamine and carbonyl monomers via "chemical domain shuffling". Initial biological screening of the library against human small cell lung carcinoma (A549) cells led to the identification of a novel hybrid dimer in contrast to the corresponding monomeric compounds which were found to be inactive.

  DOI：

  10.1021/ol051023r
• 作为产物：
  描述：

  苄氧基三甲基硅烷 在 四丙基高钌酸铵 三氟甲磺酸三甲基硅酯 、 臭氧 、 N-甲基吗啉氧化物 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 25.08h， 生成 (2S,3R)-2,4-dimethyl-3-phenylmethoxypentanal
  参考文献：
  名称：

  Convergent Synthesis of a Complex Oxime Library Using Chemical Domain Shuffling

  摘要：

  yThe synthesis of a complex hybrid oxime library is reported utilizing convergent ligation of alkoxyamine and carbonyl monomers via "chemical domain shuffling". Initial biological screening of the library against human small cell lung carcinoma (A549) cells led to the identification of a novel hybrid dimer in contrast to the corresponding monomeric compounds which were found to be inactive.

  DOI：

  10.1021/ol051023r

文献信息

• Convergent Synthesis of a Complex Oxime Library Using Chemical Domain Shuffling
  作者：Shun Su、Dayle E. Acquilano、Jeevanandam Arumugasamy、Aaron B. Beeler、Erin L. Eastwood、Joshua R. Giguere、Ping Lan、Xiaoguang Lei、Geanna K. Min、Adam R. Yeager、Ya Zhou、James S. Panek、John K. Snyder、Scott E. Schaus、John A. Porco

  DOI：10.1021/ol051023r

  日期：2005.6.1

  yThe synthesis of a complex hybrid oxime library is reported utilizing convergent ligation of alkoxyamine and carbonyl monomers via "chemical domain shuffling". Initial biological screening of the library against human small cell lung carcinoma (A549) cells led to the identification of a novel hybrid dimer in contrast to the corresponding monomeric compounds which were found to be inactive.