((E)-(R)-4-Fluoro-1-trityloxymethyl-undec-2-enyl)-carbamic acid tert-butyl ester | 254434-51-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: ((E)-(R)-4-Fluoro-1-trityloxymethyl-undec-2-enyl)-carbamic acid tert-butyl ester
• CAS: 254434-51-0
• 化学式: C₃₆H₄₆FNO₃
• 分子量: 559.765
• InChiKey: XWUZPQOYFHLUBT-RPBMCPQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.14
• 重原子数：
  41.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.56
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ((E)-(R)-4-Fluoro-1-trityloxymethyl-undec-2-enyl)-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以59%的产率得到(E)-(R)-2-Amino-5-fluoro-dodec-3-en-1-ol
  参考文献：
  名称：

  Structure-activity relationship of short-chain sphingoid bases as inhibitors of sphingosine kinase

  摘要：

  Short-chain sphinganine analogues 8, 9, 18, and 19 as well as 3-fluoro-sphingosine analogues 25 and 26 were synthesized. Their potential as sphingosine kinase inhibitors was investigated, in combination with previously synthesized sphingosine and fluorinated sphinganine analogues. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00554-5
• 作为产物：
  描述：

  tert-butyl (1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-undecenylcarbamate 在 吡啶 、 二乙胺基三氟化硫 作用下， 以 二氯甲烷 为溶剂， 生成 ((E)-(R)-4-Fluoro-1-trityloxymethyl-undec-2-enyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Structure-activity relationship of short-chain sphingoid bases as inhibitors of sphingosine kinase

  摘要：

  Short-chain sphinganine analogues 8, 9, 18, and 19 as well as 3-fluoro-sphingosine analogues 25 and 26 were synthesized. Their potential as sphingosine kinase inhibitors was investigated, in combination with previously synthesized sphingosine and fluorinated sphinganine analogues. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00554-5