千里酸异戊酯 | 56922-73-7

• 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: 千里酸异戊酯
• 英文名称: 3-methyl-1-butyl 3-methyl-2-butenoate
• 英文别名: 3-methylbutyl 3-methyl-2-butenoate；3-methylbutyl 3-methylbut-2-enoate；isopentyl 3-methyl-2-butenoate；3-methyl-crotonic acid isopentyl ester；3-Methyl-crotonsaeure-isopentylester
• CAS: 56922-73-7
• 化学式: C₁₀H₁₈O₂
• mdl: MFCD00672757
• 分子量: 170.252
• InChiKey: DBGLRAHCYJTYEH-UHFFFAOYSA-N

物化性质

• 沸点：
  105-107 °C(Press: 22 Torr)
• 密度：
  0.891±0.06 g/cm3(Predicted)
• LogP：
  3.597 (est)
• 保留指数：
  1146

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  千里酸异戊酯 在 溴 作用下， 生成 4-Oxo-seneciosaeure-isopentylester
  参考文献：
  名称：

  Synthesis of γ-Oxosenecioates. Flavor of Watermelon

  摘要：

  DOI：

  10.1021/ja01494a046
• 作为产物：
  描述：

  3-甲基巴豆酰氯 、 异戊醇 在 吡啶 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 以100%的产率得到千里酸异戊酯
  参考文献：
  名称：

  Nematicidal Activity of Natural Ester Compounds and Their Analogues against Pine Wood Nematode, Bursaphelenchus xylophilus

  摘要：

  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.

  DOI：

  10.1021/jf503631e

文献信息

• SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20170210701A1

  公开（公告）日：2017-07-27

  The invention relates to cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes of general formula (I), or the salts thereof, where [X-Y], Q, R 1 , R 2 , A 1 , A 2 , V, W, m and n have the definitions specified in the description. The invention also relates to a production method for same and to the use of same for increasing stress tolerance in plants against abiotic stress, and/or for increasing the plant yield.

  该发明涉及一般式(I)的氰基环烷基戊二烯、氰基环烷基戊-2-炔、氰基杂环烷基戊二烯和氰基杂环烷基戊-2-炔，或其盐，其中[X-Y]、Q、R1、R2、A1、A2、V、W、m和n的定义如描述中所指定。该发明还涉及同类物质的生产方法以及将其用于增加植物对非生物胁迫的抗逆性和/或增加植物产量。
• SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140051577A1

  公开（公告）日：2014-02-20

  The invention relates to substituted 5-(bicyclo[4.1.0]hept-3-en-2-yl)penta-2,4-dienes and 5-(bicyclo[4.1.0]hept-3-en-2-yl)pent-2-ene-4-ines of the formula (I) and salts thereof, where the radicals R1, R2, R3, R4, R5, [X—Y] and Q are each as defined in the description, to processes for preparation thereof and to the use thereof for enhancing stress tolerance in plants with respect to abiotic stress, and/or for increasing plant yield.

  该发明涉及代换的5-(bicyclo[4.1.0]庚-3-烯-2-基)戊-2,4-二烯和5-(bicyclo[4.1.0]庚-3-烯-2-基)戊-2-烯-4-炔的化合物及其盐，其中基团R1、R2、R3、R4、R5、[X—Y]和Q的定义如描述中所示，以及其制备方法和用途，用于增强植物对非生物胁迫的抗压能力，和/或增加植物产量。
• 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.
• Marshalok; Oglashennyi; Makitra, Russian Journal of Organic Chemistry, 1998, vol. 34, # 10, p. 1410 - 1418
  作者：Marshalok、Oglashennyi、Makitra、Pirig、Yatchishin

  DOI：——

  日期：——
• 2-n-butoxyethyl ester of beta,beta-dimethylacrylic acid
  申请人：DEFENSOR ZURICH

  公开号：US02554947A1

  公开（公告）日：1951-05-29

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