(+/-)-5-Bromo-2-methylpentanal | 130655-23-1

• 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: (+/-)-5-Bromo-2-methylpentanal
• 英文别名: 5-Bromo-2-methylpentanal
• CAS: 130655-23-1
• 化学式: C₆H₁₁BrO
• 分子量: 179.057
• InChiKey: KDNYYMJVQDWGBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (+/-)-5-Bromo-2-methylpentanal 在 重水 作用下， 反应 24.0h， 生成
  参考文献：
  名称：

  Thermodynamic control of stereochemistry in the synthesis of 1-oxaquinolizidine skeletal portions of xestospongin A

  摘要：

  DOI：

  10.1016/s0040-4039(00)97601-9

文献信息

• Conformational Considerations in 1-Oxaquinolizidines Related to the Xestospongin/Araguspongine Family: Reassignment of Stereostructures for Araguspongines B and E
  作者：Thomas R. Hoye、Jeffrey T. North、Letitia J. Yao

  DOI：10.1021/jo00102a012

  日期：1994.11

  Conformational aspects of the 1-oxaquinolizidine ring system found in the xestospongin/araguspongine family of natural products has been studied by molecular modeling and NMR spectroscopy. Stereochemical complexities [e.g., (i) cis- vs trans-decalin-like conformers and (ii) relative configuration of variously substituted 1-oxaquinolizidines] associated with this bridgehead nitrogen-containing skeleton are discussed. Experimental equilibrium values are rationalized. Reassignment of the stereostructures for araguspongines B (from 4 to 6) and E (from 5 to 2) is made in light of the above.
• HOYE, THOMAS R.;NORTH, JEFFREY T., TETRAHEDRON LETT. , 31,(1990) N0, C. 4281-4284
  作者：HOYE, THOMAS R.、NORTH, JEFFREY T.

  DOI：——

  日期：——