(E)-methyl 3-methyl-2-pentenoate | 17447-01-7

• 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)-methyl 3-methyl-2-pentenoate
• 英文别名: (E)-methyl-3-methyl-2-pentenoate；methyl (E)-3-methyl-2-pentenoate；3-methyl-pent-2t-enoic acid methyl ester；3-Methyl-pent-2t-ensaeure-methylester；(E)-3-methyl-2-pentenoic acid, methyl ester；3-Methyl-trans-penten-(2)-saeuremethylester；Methyl 3-methyl-2-pentenoate；methyl (E)-3-methylpent-2-enoate
• CAS: 17447-01-7
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: SLQFYMAWZYTVFZ-AATRIKPKSA-N

物化性质

• 熔点：
  -62.68°C (estimate)
• 沸点：
  147.6°C (estimate)
• 密度：
  0.9302
• 溶解度：
  溶于二氯甲烷、乙酸乙酯、己烷
• 保留指数：
  926

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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)-methyl 3-methyl-2-pentenoate 在 deutero lithium aluminiumhydride 作用下， 以 乙醚 为溶剂， 反应 1.0h， 生成 1,1-D₂-geraniol
  参考文献：
  名称：

  氘标记香叶基香叶醇的简便合成

  摘要：

  已经实现了三种不同种类的氘标记的香叶基香叶醇类似物的简便立体选择性合成。采用LiAlD4作为氘源，确保高氘含量...

  DOI：

  10.1246/bcsj.20140384
• 作为产物：
  描述：

  3-甲基-2-戊酮 在 乙醚 、 溴 作用下， 生成 (E)-methyl 3-methyl-2-pentenoate
  参考文献：
  名称：

  The Rearrangement of α,α'-Dibromoketones¹

  摘要：

  DOI：

  10.1021/ja01158a085

文献信息

• Asymmetric Dihydroxylations of ?-SubstitutedN-(?,?-Enoyl)bornane-10,2-sultams
  作者：Wolfgang Oppolzer、Jean-Pierre Barras

  DOI：10.1002/hlca.19870700703

  日期：1987.11.4

  Pure (E)- or (Z)-enoylsultams 2 were Oxidized with OsO4/N-Methylmorpholine N-oxide in a stereospecific and highly π-face-selective manner. Acetalization of the resulting 1,2-diols furnished, after purification, the stable, crystalline acetals 6 in >99% d.e. and in 63–74% overall yield from 2. Reductive or hydrolytic cleavage of 6 gave enantiomerically pure alcohols 8 or carboxylic acids 9 with recovery

  用OsO 4 / N-甲基吗啉N-氧化物以立体有择且高度π面选择性的方式将纯净的（E）-或（Z）-烯酰基阿磺酰胺2氧化。纯化后得到的1,2-二醇的缩醛化反应提供了稳定的结晶乙缩醛6，其> 99％de的产率为63-74％，总产率为2。6的还原或水解裂解得到对映体纯的醇8或羧酸9，同时回收了苏丹助剂1。
• 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。
• ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20160145235A1

  公开（公告）日：2016-05-26

  The present invention relates to aryl sulphide and aryl sulphoxide derivatives, to the use thereof as acaricides and insecticides for controlling animal pests and to processes and intermediates for preparation thereof. The aryl sulphide and aryl sulphoxide derivatives have the general structure (I) in which the respective radicals are as defined in the description.

  本发明涉及芳基硫醚和芳基亚砜衍生物，其用作杀螨剂和杀虫剂，用于控制动物害虫，并涉及其制备的过程和中间体。芳基硫醚和芳基亚砜衍生物具有一般结构（I），其中各自的基团如描述中所定义。
• 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。

表征谱图