[1-13C]-1-bromooctane | 53358-83-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: [1-13C]-1-bromooctane
• CAS: 53358-83-1
• 化学式: C₈H₁₇Br
• 分子量: 194.116
• InChiKey: VMKOFRJSULQZRM-VJJZLTLGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  9.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [1-13C]-1-bromooctane 在 氢氧化钾 、 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 9.0h， 生成 [3-13C]-decanoate
  参考文献：
  名称：

  Evidence for an octanoate synthase operating during the biosynthesis of piliformic acid in Poronia piliformis

  摘要：

  Sodium [1-C-13]-octanoate is incorporated intact into the C-8 unit of piliformic acid 1 in Poronia piliformis whereas sodium [3-C-13]-decanoate 2 is incorporated into this unit only after prior beta-oxidation to [1-C-13]-acetyl-CoA. Also 8-fluoraoctanaote 3 is utilised by P. piliformis as an intact unit to generate 9-fluoropiliformic acid 5 whereas 10-fluorodecanoate 4 is not. These results suggest that octanoate is biosynthesised de novo for secondary metabolism and is not assimilated from higher fatty acids by beta-oxidation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00102-6
• 作为产物：
  描述：

  methyl [1-13C]octanoate 在 lithium aluminium tetrahydride 、 硫酸 、 氢溴酸 作用下， 以 乙醚 为溶剂， 反应 7.0h， 生成 [1-13C]-1-bromooctane
  参考文献：
  名称：

  Evidence for an octanoate synthase operating during the biosynthesis of piliformic acid in Poronia piliformis

  摘要：

  Sodium [1-C-13]-octanoate is incorporated intact into the C-8 unit of piliformic acid 1 in Poronia piliformis whereas sodium [3-C-13]-decanoate 2 is incorporated into this unit only after prior beta-oxidation to [1-C-13]-acetyl-CoA. Also 8-fluoraoctanaote 3 is utilised by P. piliformis as an intact unit to generate 9-fluoropiliformic acid 5 whereas 10-fluorodecanoate 4 is not. These results suggest that octanoate is biosynthesised de novo for secondary metabolism and is not assimilated from higher fatty acids by beta-oxidation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00102-6