(6-bromohexyl)cycloheptane | 1206717-09-0

• 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: (6-bromohexyl)cycloheptane
• 英文别名: 6-Bromohexylcycloheptane
• CAS: 1206717-09-0
• 化学式: C₁₃H₂₅Br
• 分子量: 261.245
• InChiKey: UNSDRGOBNGYLCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (6-bromohexyl)cycloheptane 、 (2'R)-2-[2-methyl-3-[(p-toluenesulfonyl)-oxy]-propoxy]tetrahydropyran 在 碘 、 magnesium 、 1,2-二溴乙烷 、 dilithium tetrachlorocuprate 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 以93%的产率得到2-((S)-9-cycloheptyl-2-methylnonyloxy)tetrahydro-2H-pyran
  参考文献：
  名称：

  Identification of (S)-11-cycloheptyl-4-methylundecanoic acid in acylphosphatidylglycerol from Alicyclobacillus acidoterrestris

  摘要：

  A method is described for the identification of molecular species of acylphosphatidylglycerols containing a branched cyclo fatty acid ((S)-11-cycloheptyl-4-methylundecanoic acid; brc19:0) from Alicyclobacillus acidoterrestris and its identification as picolinyl ester by means of GC-MS. The combination of TLC, negative RP-HPLC-ESI-MS/MS, enzymatic hydrolysis, and CC-MS was used to identify unusual molecular species of acylphosphatidylglycerols with cyclic and branched FA. The acid, brc19:0, was also synthesized to unambiguously confirm its structure. According to feeding experiments with (13)C-labeled propionate, the C(3) internal unit (branched methyl) of brc19:0 is assembled from propionate and not from methionine. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2009.02.001
• 作为产物：
  描述：

  7-cycloheptylheptanoic acid 在 碘苯二乙酸 、 溴 作用下， 以 二溴甲烷 为溶剂， 反应 22.0h， 以75%的产率得到(6-bromohexyl)cycloheptane
  参考文献：
  名称：

  Identification of (S)-11-cycloheptyl-4-methylundecanoic acid in acylphosphatidylglycerol from Alicyclobacillus acidoterrestris

  摘要：

  A method is described for the identification of molecular species of acylphosphatidylglycerols containing a branched cyclo fatty acid ((S)-11-cycloheptyl-4-methylundecanoic acid; brc19:0) from Alicyclobacillus acidoterrestris and its identification as picolinyl ester by means of GC-MS. The combination of TLC, negative RP-HPLC-ESI-MS/MS, enzymatic hydrolysis, and CC-MS was used to identify unusual molecular species of acylphosphatidylglycerols with cyclic and branched FA. The acid, brc19:0, was also synthesized to unambiguously confirm its structure. According to feeding experiments with (13)C-labeled propionate, the C(3) internal unit (branched methyl) of brc19:0 is assembled from propionate and not from methionine. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2009.02.001