(18Z,21Z,24Z)-12-(phenylsulfonyl)triaconta-18,21,24-trienoic acid | 1260225-92-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (18Z,21Z,24Z)-12-(phenylsulfonyl)triaconta-18,21,24-trienoic acid
• CAS: 1260225-92-0
• 化学式: C₃₆H₅₈O₄S
• 分子量: 586.92
• InChiKey: BXFOZMZNWVMHTA-QNEBEIHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.79
• 重原子数：
  41.0
• 可旋转键数：
  27.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  71.44
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (18Z,21Z,24Z)-12-(phenylsulfonyl)triaconta-18,21,24-trienoic acid 在 sodium dihydrogenphosphate 、 sodium amalgam 作用下， 以 甲醇 为溶剂， 反应 40.0h， 以84%的产率得到(18Z,21Z,24Z)-triaconta-18,21,24-trienoic acid
  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：

  (18Z,21Z,24Z)-12-(phenylsulfonyl)triaconta-18,21,24-trien-1-ol 在 Jones reagent 作用下， 以 丙酮 为溶剂， 以88%的产率得到(18Z,21Z,24Z)-12-(phenylsulfonyl)triaconta-18,21,24-trienoic acid
  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