(4,7,7-三甲基-2-双环[3.1.1]庚-3-烯基)乙酸酯 | 33522-69-9

• 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: (4,7,7-三甲基-2-双环[3.1.1]庚-3-烯基)乙酸酯
• 英文名称: 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-ol acetate
• 英文别名: 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-yl acetate；4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate；Verbenyl acetate；verbenol acetate；trans-Verbenylacetat；Verbenolacetat；(4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate
• CAS: 33522-69-9
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: OZBFUQLOVFXDNK-UHFFFAOYSA-N

物化性质

• LogP：
  3.215 (est)
• 保留指数：
  1290;1282;1282

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  3.0
• 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

• 作为反应物：
  描述：

  (4,7,7-三甲基-2-双环[3.1.1]庚-3-烯基)乙酸酯 、 三氧化铬 生成 马鞭草烯酮
  参考文献：
  名称：

  NISINO, OYAO;TAKAYANAGI, XISAO

  摘要：

  DOI：
• 作为产物：
  描述：

  2-蒎烯聚合物 生成 (4,7,7-三甲基-2-双环[3.1.1]庚-3-烯基)乙酸酯
  参考文献：
  名称：

  NISINO, OYAO;TAKAYANAGI, XISAO

  摘要：

  DOI：

文献信息

• Liquid phase acetoxylation of α-pinene over Amberlyst-70 ion-exchange resin
  作者：M. Golets、S. Ajaikumar、D. Blomberg、H. Grundberg、J. Wärnå、T. Salmi、J.-P. Mikkola

  DOI：10.1016/j.apcata.2012.05.034

  日期：2012.9

  Heterogeneously-catalyzed and solvent-catalyzed liquid phase acetoxylation of α-pinene with acetic acid acting as both a solvent and a reagent was studied. Both solvent-catalyzed and catalytic experiments were carried out and various reaction conditions were studied. The influence of temperature, pressure, solvent and gas milieu were taken into account. Bornyl, fenchyl, verbenyl as well as α-terpinyl

  研究了以乙酸作为溶剂和试剂的非均相催化和溶剂催化的α-pine烯的液相乙氧基化反应。进行了溶剂催化和催化实验，并研究了各种反应条件。考虑了温度，压力，溶剂和气体环境的影响。在反应产物中发现了降冰片基，芬基基，马来基基团以及乙酸α-叔丁基酯，li烯、,烯和γ-萜品烯。催化剂的加入使得乙酸冰片酯的产率最大化。获得的主要产物是α-萜烯基，马来酸和乙酸冰片酯。识别并评估了反应途径。 这项工作的目的是研究α-pine烯分批乙酰氧基化的可行性。复杂产物分布的分析并非无关紧要，因此，解决反应网络非常重要。寻找优化的反应条件以将α-pine烯有效转化为有价值的产物的混合物。
• Method to evaluate fragrance compositions
  申请人：The Procter & Gamble Company

  公开号：EP2799864A1

  公开（公告）日：2014-11-05

  The present invention relates to a method to evaluate and profile a fragrance composition according to the associated biometric response in humans to the composition. A group of at least 20 test participants is exposed to at least 3 fragrance compositions and at least 4 biometric Autonomatic Nervous System (ANS) parameters are measured. Partition and random/bootstrap forest statistical analysis methods are applied to create a profiling model.

  本发明涉及一种根据人类对香味组合物的相关生物特征反应来评估和描述香味组合物的方法。一组至少 20 名测试参与者接触至少 3 种香味组合物，并测量至少 4 种生物特征自主神经系统（ANS）参数。应用分区和随机/自举森林统计分析方法来创建分析模型。
• 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.
• 2-POSITION MODIFICATION FOR SYNTHESIS OF RESORCINOL SCAFFOLDING
  申请人：CANOPY HOLDINGS, LLC

  公开号：EP3873879A1

  公开（公告）日：2021-09-08
• 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.

表征谱图