tert-butyldiphenyl((19Z,22Z,25Z,28Z,31Z)-12-(phenylsulfonyl)tetratriaconta-19,22,25,28,31-pentaenyloxy)silane-d2 | 1260225-85-1

• 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: tert-butyldiphenyl((19Z,22Z,25Z,28Z,31Z)-12-(phenylsulfonyl)tetratriaconta-19,22,25,28,31-pentaenyloxy)silane-d2
• CAS: 1260225-85-1
• 化学式: C₅₆H₈₂O₃SSi
• 分子量: 865.401
• InChiKey: JWZPBBJTSZOFLS-VAMGYAMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  61.0
• 可旋转键数：
  33.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  tert-butyldiphenyl((19Z,22Z,25Z,28Z,31Z)-12-(phenylsulfonyl)tetratriaconta-19,22,25,28,31-pentaenyloxy)silane-d2 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到(19Z,22Z,25Z,28Z,31Z)-12-(phenylsulfonyl)tetratriaconta-19,22,25,28,31-pentaen-1-ol-d2
  参考文献：
  名称：

  Chemical synthesis of deuterium-labeled and unlabeled very long chain polyunsaturated fatty acids

  摘要：

  First syntheses of a deuterium-labeled very long C34-containing polyunsaturated fatty acid, 34:5n5, and three other unlabeled very long chain C30-32 containing polyunsaturated fatty acids are reported. These syntheses were achieved by coupling chemically modified C22- and C20-containing polyunsaturated fatty acids with carbanions derived from arylalkyl sulfones, followed by sodium amalgam-mediated desulfonylation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.139
• 作为产物：
  描述：

  (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenyl 4-methylbenzenesulfonate-d2 、 tert-butyldiphenyl(12-(phenylsulfonyl)dodecyloxy)silane 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到tert-butyldiphenyl((19Z,22Z,25Z,28Z,31Z)-12-(phenylsulfonyl)tetratriaconta-19,22,25,28,31-pentaenyloxy)silane-d2
  参考文献：
  名称：

  Chemical synthesis of deuterium-labeled and unlabeled very long chain polyunsaturated fatty acids

  摘要：

  First syntheses of a deuterium-labeled very long C34-containing polyunsaturated fatty acid, 34:5n5, and three other unlabeled very long chain C30-32 containing polyunsaturated fatty acids are reported. These syntheses were achieved by coupling chemically modified C22- and C20-containing polyunsaturated fatty acids with carbanions derived from arylalkyl sulfones, followed by sodium amalgam-mediated desulfonylation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.139