1-萜品-4-基乙酸酯 | 4821-04-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-萜品-4-基乙酸酯
• 英文名称: 4-terpinenyl acetate
• 英文别名: terpinen-4-yl acetate；terpinen-4-ol acetate；4-terpineol acetate；4-terpinyl acetate；4-Terpinenyl-acetat；(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate
• CAS: 4821-04-9
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: BFCBRSFYYLSTAA-UHFFFAOYSA-N

物化性质

• 沸点：
  236.3±29.0 °C(Predicted)
• 密度：
  0.95±0.1 g/cm3(Predicted)
• LogP：
  3.507 (est)
• 保留指数：
  1332;1273;1331;1286;1302;1289;1274;1321;1338;1321;1290;1281;1270;1290;1282

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-萜烯醇 、 乙酸酐 在 C₁₂H₈N₂*2CH₄O₃S 作用下， 反应 5.0h， 以89%的产率得到1-萜品-4-基乙酸酯
  参考文献：
  名称：

  质子梯度转移酸配合物及其合成乙酸香叶酯的催化性能

  摘要：

  据报道，特殊的质子梯度转移酸复合物 (PGTAC) 中键合的质子不等价，并且在转移能力、酸度和反应性方面具有梯度。质子的酸度梯度使 PGTAC 在萜醇酯化中具有优异的催化活性和选择性。这些 PGTAC 是“反应诱导自分离催化剂”，可以轻松重复使用。还研究了 PGTAC 作为催化剂在香叶醇酯化中的动力学，以用于工程设计。

  DOI：

  10.1016/s1872-2067(16)62577-9

文献信息

• Permanganate–periodate oxidation. Part VIII. The oxidation of some cyclic mono-olefins and monoterpenes
  作者：T. Suga、E. von Rudloff

  DOI：10.1139/v69-607

  日期：1969.10.1

  The reaction of cyclic mono-olefins with the permanganate–periodate reagent was investigated. 4-Terpinenol and its acetate, and to a lesser degree α-terpineol and camphene gave in addition to the expected products, several neutral and acidic products. In contrast, α-pinene, β-pinene, sabinene, pulegone, and several cyclo-olefins which can be considered as simple analogues of these monoterpenes, afforded the predicted products in high yield. Cyclo-hexanone and menthone, though saturated, were oxidized extensively, enolization offering a plausible pathway for this result. Saturated terpene alcohols reacted only very slowly indicating that attack at a tertiary hydrogen is not a significant part of the permanganate–periodate reaction.

  环烯烃与高锰酸盐-碘酸盐试剂的反应进行了研究。4-松节醇及其醋酸酯，以及较小程度上的α-松节醇和蒎烯产生了除预期产物外的几种中性和酸性产物。相比之下，α-蒎烯、β-蒎烯、沙比林、薄荷醇和几种可以被视为这些单萜类化合物的简单类似物的环烯烃以高收率产生了预期产物。环己酮和薄荷醇，尽管饱和，被广泛氧化，烯醇化提供了这一结果的一个合理途径。饱和萜类醇反应非常缓慢，表明对三级氢的攻击不是高锰酸盐-碘酸盐反应的重要部分。
• Heterogeneous Catalysis in Acetylation of Alcohols and Phenols Promoted by Zirconium Sulfophenyl Phosphonate
  作者：Massimo Curini、Francesco Epifano、Maria Carla Marcotullio、Ornelio Rosati、Monia Rossi

  DOI：10.1080/00397910008087154

  日期：2000.4

  Layered zirconium sulfophenyl phosphonate was found to be an efficient heterogeneous catalyst for the acetylation of alcohols and phenols.
• Insecticidal properties of monoterpenoid derivatives to the house fly (diptera: Muscidae) and red flour beetle (coleoptera: Tenebrionidae)
  作者：Pamela J. Rice、Joel R. Coats

  DOI：10.1002/ps.2780410305

  日期：1994.7

  AbstractMonoterpenoid derivatives were synthesized and their insecticidal activities were evaluated against red flour beetles, Tribolium castaneum (Herbst), in fumigant bioassays and against house flies Musca domestica (L.) in topical, fumigant, and ovicidal bioassays. Acetate derivatives and haloacetate derivatives were compared with each other, and with the parent monoterpenoid to determine structure‐activity relationships. Acetate derivatives were more active than the propionate derivatives of cyclic monoterpenoids in the topical, fumigant, and ovicidal bioassays. Pivalates were topically more insecticidal than acetates to adult house flies, while the acetates had the greater ovicidal activity. Acetates and pivalates were more effective than haloacetates in the topical, red flour beetle fumigation and ovicidal bioassays. Fluoroacetates of cyclic monoterpenoids were the most effective house fly fumigants, followed by acetates, and trichloroacetates. Several derivatives were produced that displayed enhanced activity relative to the parent alcohols or phenols.
• Blue Curls "Pirzada" and Related Compositions and Methods
  申请人：Pirzada Syed Zebe

  公开号：US20140017178A1

  公开（公告）日：2014-01-16

  The present disclosure embrace Blue Curls ( Trichostema lanatum ) var. Pirzada and compositions and methods there from. Specifically, the applications provides methods and compositions relating to Blue Curls Pirzada essential oil and floral water.
• [EN] BLUE CURLS "PIRZADA" AND RELATED COMPOSITIONS AND METHODS<br/>[FR] BOUCLES BLEUES « PIRZADA » ET COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：PIRZADA SYED ZEBE

  公开号：WO2012088279A1

  公开（公告）日：2012-06-28

  The present disclosure embrace Blue Curls (Trichostema lanatum) var. Pirzada and compositions and methods there from. Specifically, the applications provides methods and compositions relating to Blue Curls Pirzada essential oil and floral water.

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