四氢-alpha,alpha,5-三甲基-5-乙烯基糠基乙酸酯 | 67689-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢呋喃
• 中文名称: 四氢-alpha,alpha,5-三甲基-5-乙烯基糠基乙酸酯
• 英文名称: acetoxy linalool oxide
• 英文别名: Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfurfuryl acetate；2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl acetate
• CAS: 67689-50-3
• 化学式: C₁₂H₂₀O₃
• 分子量: 212.289
• InChiKey: PZMSWQCFPOWCEC-UHFFFAOYSA-N

物化性质

• 沸点：
  251.4±28.0 °C(Predicted)
• 密度：
  1.034±0.06 g/cm3(Predicted)
• LogP：
  2.431 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  氧化芳樟醇	2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran	60047-17-8	C10H18O2	170.252

反应信息

• 作为产物：
  描述：

  氧化芳樟醇 、 乙酰氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以53%的产率得到四氢-alpha,alpha,5-三甲基-5-乙烯基糠基乙酸酯
  参考文献：
  名称：

  Neutral compounds from male castoreum of North American beaver,Castor canadensis

  摘要：

  North American beavers (Casio, canadensis) mark their territories with castoreum, the strong-smelling paste in their castor sacs. In their own territories, beavers respond with scent marking to experimental scent marks that consist of strange castoreum (or selected components). In part, the unique odor of castoreum is due to large amounts of phenolic compounds rind neutral compounds. Purifed neutral compounds were analyzed by GC, GC-MS, and NMR; identities of the neutral compounds were confirmed by comparing the properties of authentic compounds with those of the isolated compounds. We identified 13 neutral compounds that had not been reported before for castoreum. Most of these are oxygen-containing monoterpenes, Of the nine neutral compounds reported by Lederer (1949), only three are confirmed in our analysis; the other six neutral compounds are either absent or are not volatile enough to be detected by our methods. Eight compounds-6-methyl-1-heptanol, 4,6-dimethyl-1-heptanol, isopinocamphone, pinocamphone, two linalool oxides, and their acetates-were synthesized for structure identification and bioassays.

  DOI：

  10.1007/bf02033674

文献信息

• COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS
  申请人：Matsunami Hiroaki

  公开号：US20100248390A1

  公开（公告）日：2010-09-30

  The present invention relates to compositions and methods for identifying odorant-odorant receptor interactions. In particular, the present invention relates to in silico methods for identifying odorant receptor-odorant interactions based on chemical and physical properties of odorant receptors and odorants.
• Neutral compounds from male castoreum of North American beaver,Castor canadensis
  作者：Rong Tang、Francis X. Webster、Dietland Müller-Schwarze

  DOI：10.1007/bf02033674

  日期：1995.11

  North American beavers (Casio, canadensis) mark their territories with castoreum, the strong-smelling paste in their castor sacs. In their own territories, beavers respond with scent marking to experimental scent marks that consist of strange castoreum (or selected components). In part, the unique odor of castoreum is due to large amounts of phenolic compounds rind neutral compounds. Purifed neutral compounds were analyzed by GC, GC-MS, and NMR; identities of the neutral compounds were confirmed by comparing the properties of authentic compounds with those of the isolated compounds. We identified 13 neutral compounds that had not been reported before for castoreum. Most of these are oxygen-containing monoterpenes, Of the nine neutral compounds reported by Lederer (1949), only three are confirmed in our analysis; the other six neutral compounds are either absent or are not volatile enough to be detected by our methods. Eight compounds-6-methyl-1-heptanol, 4,6-dimethyl-1-heptanol, isopinocamphone, pinocamphone, two linalool oxides, and their acetates-were synthesized for structure identification and bioassays.