(R)-1-叔丁氧基-3-甲基庚烷 | 436141-55-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (R)-1-叔丁氧基-3-甲基庚烷
• 英文名称: (R)-1-tert-butoxy-3-methylheptane
• 英文别名: (r)-1-t-Butoxy-3-methylheptane；(3R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]heptane
• CAS: 436141-55-8
• 化学式: C₁₂H₂₆O
• 分子量: 186.338
• InChiKey: TXRDLWHHJDYNPL-LLVKDONJSA-N

物化性质

• 沸点：
  201.7±8.0 °C(Predicted)
• 密度：
  0.798±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (R)-1-叔丁氧基-3-甲基庚烷 在 盐酸 、 碘代三甲硅烷 、 Ca(OCl₂)2 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 (S)-3-甲基庚酸
  参考文献：
  名称：

  摘要：

  Using gas chromatography with flame ionization detection (FID) and electroantennographic detection (EAD) in parallel, and employing chiral and achiral capillary columns, three constituents of the abdominal sex-attracting secretion of male Kheper nigroaeneus dung beetles were found to elicit reproducible EAD responses in male and female K. nigroaeneus antennae. One of these constituents is present in the secretion in such a small quantity that it could not be detected by FID, and it was not identified. The other constituents were identified as 3-methylindole (skatole) and (R)-(+)-3-methylheptanoic acid.

  DOI：

  10.1023/a:1014583826875
• 作为产物：
  描述：

  (R)-(+)-β-香茅醇 在 copper(l) iodide 、 lithium aluminium tetrahydride 、 四溴化碳 、 Amberlyst H-15 、 oxonium 、 臭氧 、 三苯基膦 作用下， 以 乙醚 、 正己烷 、 乙腈 、 正戊烷 为溶剂， 反应 12.0h， 生成 (R)-1-叔丁氧基-3-甲基庚烷
  参考文献：
  名称：

  摘要：

  Using gas chromatography with flame ionization detection (FID) and electroantennographic detection (EAD) in parallel, and employing chiral and achiral capillary columns, three constituents of the abdominal sex-attracting secretion of male Kheper nigroaeneus dung beetles were found to elicit reproducible EAD responses in male and female K. nigroaeneus antennae. One of these constituents is present in the secretion in such a small quantity that it could not be detected by FID, and it was not identified. The other constituents were identified as 3-methylindole (skatole) and (R)-(+)-3-methylheptanoic acid.

  DOI：

  10.1023/a:1014583826875