E-4-Methoxy-2-hexene | 134876-44-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: E-4-Methoxy-2-hexene
• 英文别名: (E)-4-methoxyhex-2-ene
• CAS: 134876-44-1
• 化学式: C₇H₁₄O
• 分子量: 114.188
• InChiKey: DOMBBEHJVXKOID-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (E)-hex-4-en-3-ol 、 碘甲烷 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 生成 E-4-Methoxy-2-hexene
  参考文献：
  名称：

  Dissociations of positively charged aliphatic epoxides. I. Structure elucidation of the γ-cleavage products

  摘要：

  AbstractDissociative ionization of 1,2‐epoxy n‐alkanes gives rise to abundant [C4H7O]+ ions of structure [CH3OCHCHCH2]+. This conclusion is drawn from metastable ion analysis and from collisional activation spectra. This fragmentation involves the CC ring opening and a 1,4‐H migration leading to the corresponding enol ether [CH3OCHCHCH2R]+. precursor of [CH3OCHCHCH2]+ fragment. The same isomerization scheme applies to 1,2‐epoxy methyl substituted alkanes and 2,3‐epoxy n‐alkanes.

  DOI：

  10.1002/oms.1210220209

文献信息

• ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD
  申请人：Miyazaki Hiroyuki

  公开号：US20100160434A1

  公开（公告）日：2010-06-24

  There is provided an organic sulfur compound having an excellent controlling effect on harmful arthropods represented by the formula (I): wherein, R 1 represents a C3-C10 alkenyl group optionally substituted with at least one halogen atom, a C3-C10 alkynyl group optionally substituted with at least one halogen atom, or the like, R 2 represents a cyano group or the like, R 3 represents a hydrogen atom, a halogen atom or a C1-C4 alkyl group, R 4 represents a C1-C5 fluoroalkyl group, and n represents 0, 1 or 2.

  提供了一种有机硫化合物，其对由式（I）所代表的有害节肢动物具有优异的控制效果：其中，R1代表C3-C10烯基，可选地取代至少一个卤素原子，C3-C10炔基，可选地取代至少一个卤素原子或类似基团；R2代表氰基或类似基团；R3代表氢原子、卤素原子或C1-C4烷基；R4代表C1-C5氟烷基；n代表0、1或2。
• Intracomplex CH₃OH Walking around Optically Active 1-Methyl-3-ethylallyl Cations. A Gas-Phase Kinetic Study
  作者：Anna Troiani、Maurizio Speranza

  DOI：10.1021/jo971282x

  日期：1998.2.1

  The kinetics and the mechanism of the racemization and regioisomerization of O-methylated (S)-trans-4-hexen-3-ol (IS') or (R)-trans-3-hexen-2-ol (IIR') have been investigated in the gas phase at 720 Torr and in the 40-120 degrees C temperature range. The starting oxonium intermediates were generated in the gas phase by the reaction of (CH3)(2)Cl+ ions, formed by stationary gamma-radiolysis of bulk CH3Cl, on the corresponding optically active alcohols. The rate constant of the gas-phase regioisomerization of IS' ((3.4-16.0) x 10(6) s(-1)) was found to exceed that of its racemization ((1.9-9.8) x 10(6) s(-1)) over the entire temperature range. Similar differences were observed for the regioisomerization ((2.9-15.0) x 10(6) s(-1)) and the racemization of IIR' ((1.8-9.6) x 10(6) s(-1)). By analogy with previous experimental and theoretical evidence, these results are consistent with intramolecular racemization and regioisomerization processes involving the intermediacy of two distinct hydrogen-bonded complexes, wherein the CH3OH molecule is coplanarly coordinated to the in-plane hydrogens of the 1-methyl-3-ethylallyl moiety. The activation parameters for their formation from the IS' and IIR' were evaluated and compared with those concerning the racemization and regioisomerization of O-protonated (S)-trans-4-hexen-3-ol (IS), previously measured in the gas phase under similar experimental conditions. The comparison reveals that gas-phase racemization and regioisomerization of O-protonated (S)-trans-4-hexen-3-ol (1S') (AOH=H2O) involve transition structures located early along the reaction coordinate, whereas the transition structures involved in the rearrangement of O-methylated (S)-trans-4-hexen-3-ol (1S') and (R)-trans-3-hexen-2-ol (IIR') (AOH = CH3OH) are placed later along the reaction coordinate and are characterized by a strong coordination of the moving CH3OH molecule with the hydrogens of the allylic moiety.
• ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2152668B1

  公开（公告）日：2011-01-12
• US8247595B2
  申请人：——

  公开号：US8247595B2

  公开（公告）日：2012-08-21
• [EN] ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD<br/>[FR] COMPOSÉ DE SOUFRE ORGANIQUE ET SON UTILISATION POUR LUTTER CONTRE UN ARTHROPODE NUISIBLE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2008143338A1

  公开（公告）日：2008-11-27

  [EN] There is provided an organic sulfur compound having an excellent controlling effect on harmful arthropods represented by the formula (I): wherein, R₁ represents a C3-C10 alkenyl group optionally substituted with at least one halogen atom, a C3-C10 alkynyl group optionally substituted with at least one halogen atom, or the like, R₂ represents a cyano group or the like, R₃ represents a hydrogen atom, a halogen atom or a C1-C4 alkyl group, R₄ represents a C1-C5 fluoroalkyl group, and n represents 0, 1 or 2.
  [FR] L'invention concerne un composé de soufre organique, ayant un excellent effet de lutte contre les arthropodes nuisibles, représenté par la formule (I) : dans laquelle, R₁ représente un groupe alcényle en C₃-C₁₀, facultativement substitué par au moins un atome d'halogène, un groupe alcynyle en C₃-C_10, facultativement substitué par au moins un atome d'halogène ou similaire, R₂ représente un groupe cyano ou similaire, R₃ représente un atome d'hydrogène, un atome d'halogène ou un groupe alkyle en C₁-C₄, R₄ représente un groupe fluoroalkyle en C₁-C₅, et n représente 0, 1 ou 2.