3-甲基-2-丁烯基3-甲基-2-丁烯酸酯 | 72779-06-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-甲基-2-丁烯基3-甲基-2-丁烯酸酯
• 英文名称: 3-methyl-2-buten-1-yl 3-methyl-2-butenoate
• 英文别名: 3-methylbut-2-en-1-yl 3-methylbut-2-enoate；3-methyl-2-butenyl 3-methyl-2-butenoate；3-methyl-crotonic acid-(3-methyl-but-2-enyl ester)；3-Methyl-crotonsaeure-(3-methyl-but-2-enylester)；3-Methyl-2-butenyl-(3-methyl)-2-butenoate；2-Butenoic acid, 3-methyl-, 3-methyl-2-butenyl ester；3-methylbut-2-enyl 3-methylbut-2-enoate
• CAS: 72779-06-7
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: CBERZXRMIOEKPW-UHFFFAOYSA-N

物化性质

• 沸点：
  99-100 °C(Press: 12 Torr)
• 密度：
  0.914±0.06 g/cm3(Predicted)
• LogP：
  3.003 (est)
• 保留指数：
  1234.7;1245;1237;1208

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  3-甲基巴豆酰氯 、 异戊烯醇 在 吡啶 、 苯 作用下， 生成 3-甲基-2-丁烯基3-甲基-2-丁烯酸酯
  参考文献：
  名称：

  2-n-butoxyethyl ester of beta,beta-dimethylacrylic acid

  摘要：

  公开号：

  US02554947A1

文献信息

• Analysis of the Volatile Aroma Constituents of Parental and Hybrid Clones of Pepino (<i>Solanum muricatum</i>)
  作者：Adrián Rodríguez-Burruezo、Hubert Kollmannsberger、Jaime Prohens、Siegfried Nitz、Fernando Nuez

  DOI：10.1021/jf040107w

  日期：2004.9.1

  The volatile constituents of 10 clones (4 parents with different flavors and 6 hybrids from selected crossings among these parents) of pepino fruit (Solanum muricatum) were isolated by simultaneous distillation-extraction and analyzed by gas chromatography-mass spectrometry (GC-MS). Odor-contributing volatiles (OCVs) were detected by GC-olfactometry-MS analyses and included 24 esters (acetates, 3-methylbutanoates, and 3-methylbut-2-enoates), 7 aldehydes (especially hexenals and nonenals), 6 ketones, 9 alcohols, 3 lactones, 2 terpenes, beta-damascenone, and mesifurane. Among these compounds, 17, of which 5 had not been reported previously in pepino, were found to contribute significantly to pepino aroma. OCVs can be assigned to three groups according to their odor quality: fruity fresh (acetates and prenol), green vegetable (C6 and C9 aldehydes), and exotic (lactones, mesifuran, and beta-damascenone). Quantitative and qualitative differences between clones for these compounds are clearly related to differences in their overall flavor impression. The positive value found for the hybrid-midparent regression coefficient for volatile composition indicates that an important fraction of the variation observed is inheritable, which has important implications in breeding for improving aroma. Significant and positive correlations were found between OCVs having common precursors or related pathways.
• Nematicidal Activity of Natural Ester Compounds and Their Analogues against Pine Wood Nematode, <i>Bursaphelenchus xylophilus</i>
  作者：Seon-Mi Seo、Junheon Kim、Sang-Hyun Koh、Young-Joon Ahn、Il-Kwon Park

  DOI：10.1021/jf503631e

  日期：2014.9.17

  In this study, we evaluated the nematicidal activity of natural ester compounds against the pine wood nematode, Bursaphelenchus xylophilus, to identify candidates for the development of novel, safe nematicides. We also tested the nematicidal activity of synthesized analogues of these ester compounds to determine the structure-activity relationship. Among 28 ester compounds tested, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methylbutyl tiglate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2-methylbutanoate showed strong nematicidal activity against the pine wood nematode at a 1 mg/mL concentration. The other ester compounds showed weak nematicidal activity. The LC50 values of 3-methylbutyl tiglate, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2-methylbutanoate were 0.0218, 0.0284, 0.0326, 0.0402, and 0.0480 mg/mL, respectively. The ester compounds described herein merit further study as potential nematicides for pine wood nematode control.
• JPS5920246A
  申请人：——

  公开号：JPS5920246A

  公开（公告）日：1984-02-01
• BIODEGRADABLE COMPOSITIONS AND MATERIALS
  申请人：Putnam David Aaron

  公开号：US20100104625A1

  公开（公告）日：2010-04-29

  The present invention provides compounds of Formula I, materials comprising one or more compounds of Formula I and one or more biologically active agents, pharmaceutical compositions comprising an inventive material and a pharmaceutically acceptable excipient, methods of making compounds of Formula I, methods of making inventive materials, and methods of using pharmaceutical compositions comprising an inventive material and a pharmaceutically acceptable excipient.
• US4486337A
  申请人：——

  公开号：US4486337A

  公开（公告）日：1984-12-04