(E)-3-methyl-hex-2-enoic acid methyl ester | 22146-94-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-3-methyl-hex-2-enoic acid methyl ester
• 英文别名: 3-methyl-hex-2-enoic acid methyl ester；3-Methyl-hex-2-ensaeure-methylester；β-Methyl-β-propyl-acrylsaeuremethylester；trans-3-Methylhex-2-ensaeuremethylester；cis-3-Methylhex-2-ensaeuremethylester；3-Methyl-2-hexenoesaeuremethylester；Methyl (2E)-3-methyl-2-hexenoate；methyl (E)-3-methylhex-2-enoate
• CAS: 22146-94-7
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: FTNNIIIFSINEIF-VOTSOKGWSA-N

物化性质

• 沸点：
  171.6±9.0 °C(Predicted)
• 密度：
  0.902±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  (E)-3-methyl-hex-2-enoic acid methyl ester 在 1,2-环氧丁烷 、 lithium aluminium tetrahydride 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 (4E,6E,8E)-4,9-dimethyl-dodeca-4,6,8-triene
  参考文献：
  名称：

  Khan,N. et al., Journal of the Chemical Society. Perkin transactions I, 1975, p. 1457 - 1464

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氧代己酸甲酯 生成 (E)-3-methyl-hex-2-enoic acid methyl ester
  参考文献：
  名称：

  Sum,F.-W.; Weiler,L., Canadian Journal of Chemistry, 1979, vol. 57, p. 1431 - 1441

  摘要：

  DOI：

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。
• SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140087949A1

  公开（公告）日：2014-03-27

  The invention relates to substituted 5-(cyclohex-2-en-1-yl)penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)pent-2-en-4-ines of the formula (I) and their salts where the radicals R 1 , R 2 , R 3 , R 4 , [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-(环己-2-烯-1-基)戊-2,4-二烯和5-(环己-2-烯-1-基)戊-2-烯-4-炔的化合物(I)及其盐，其中基团R1、R2、R3、R4、[X—Y]和Q如描述中所定义，以及其制备方法和用途，用于增强植物对非生物胁迫的抗逆性，并/或增加植物产量。
• [EN] ESTERS AS PERFUMING INGREDIENTS<br/>[FR] ESTERS EN TANT QU'INGRÉDIENTS DE PARFUM
  申请人：FIRMENICH & CIE

  公开号：WO2011055251A1

  公开（公告）日：2011-05-12

  The present invention relates to some perfuming ingredients which are esters of formula (I) wherein R1 and R2 represent each a hydrogen atom or a methyl or ethyl group; and R3 represents a C5-C8 group of formula satured or unsatured linear, branched or cyclic group.

  本发明涉及一些香料成分，其为具有以下结构的酯类化合物（I）：其中R1和R2分别代表氢原子或甲基或乙基基团；而R3代表饱和或不饱和线性、支链或环状的式C5-C8基团。
• Enolisation of αβ-unsaturated esters : regio- and geometrical control
  作者：Donald W. Cameron、Mark G. Looney、Judy A. Pattermann

  DOI：10.1016/0040-4039(95)01531-0

  日期：1995.10

  LDA-Mediated γ-deprotonation of simple αβ-unsaturated esters occurs (Z)- to the ester group; silylation then leads to oxy butadienes with strong regio- and geometrical selectivity.

  LDA介导的简单αβ-不饱和酯的γ去质子化反应发生在酯基上（Z）-；然后，甲硅烷基化会产生具有强烈的区域和几何选择性的氧丁二烯。