(E)-2-methyl-5-phenylpent-2-enenitrile | 85054-78-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-2-methyl-5-phenylpent-2-enenitrile
• 英文别名: (Z)-2-methyl-5-phenylpent-2-enenitrile
• CAS: 85054-78-0
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: VOSSXNWGYRTWKG-IZZDOVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苯丙醛 在 titanium(IV) isopropylate 、 三氟化硼乙醚 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 (E)-2-methyl-5-phenylpent-2-enenitrile
  参考文献：
  名称：

  A STEREOCONTROLLED SYNTHESIS OF 2-METHYL-2-ALKENENITRILES FROMC-METHYL-C,N-BIS(TRIMETHYLSILYL)KETENIMINE AND ALDEHYDES

  摘要：

  在 TiCl4 和 Ti(O-iPr)4 混合物存在下，通过 C-甲基-C,N-双(三甲基硅基)乙烯亚胺与醛的非对映选择性醛醇型反应，实现了 2-甲基-2-烯腈的立体控制合成。

  DOI：

  10.1246/cl.1983.97

文献信息

• [EN] 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT<br/>[FR] 2,2,6-TRIMÉTHYL-4,5-DIHYDRO-3H-OXÉPINE UTILISÉ EN TANT QU'INGRÉDIENT AROMATIQUE
  申请人：BASF SE

  公开号：WO2021037806A1

  公开（公告）日：2021-03-04

  The presently claimed invention is directed to 2,2,6-trimethyl-4,5-dihydro-3H-oxepine and its use to impart an aroma impression to a composition. The presently claimed invention also relates to a method of imparting such an aroma impression. The presently claimed invention is further directed to compositions comprising 2,2,6-trimethyl-4,5- dihydro-3H-oxepine and at least one aroma chemical as well as to compositions comprising 2,2,6-trimethyl-4,5-dihydro-3H-oxepine and at least one further component selected from the group consisting of aroma chemicals, surfactants, oil components, antioxidants, deodorant-active agents and solvents.

  目前所宣称的发明是针对2,2,6-三甲基-4,5-二氢-3H-氧杂环戊烯及其用于赋予组合物香气印象的。目前所宣称的发明还涉及一种赋予这种香气印象的方法。目前所宣称的发明进一步针对包含2,2,6-三甲基-4,5-二氢-3H-氧杂环戊烯和至少一种香气化学品的组合物，以及包含2,2,6-三甲基-4,5-二氢-3H-氧杂环戊烯和至少一种来自包括香气化学品、表面活性剂、油类成分、抗氧化剂、除臭剂活性剂和溶剂的进一步成分的组合物。
• [EN] 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL<br/>[FR] 2,4-DIÉTHYLOCTA-2,6-DIÉNAL ET SON UTILISATION COMME PRODUIT CHIMIQUE AROMATIQUE
  申请人：BASF SE

  公开号：WO2021122674A1

  公开（公告）日：2021-06-24

  The present invention relates to 2,4-diethylocta-2,6-dienal and a method of preparing same, to the use of 2,4-diethylocta-2,6-dienal as aroma chemical; to the use of 2,4-diethylocta-2,6- dienal for preparing an aroma chemical composition or for modifying the aroma character of an aroma chemical composition; to an aroma chemical composition containing 2,4- diethylocta-2,6-dienal; and to a method of preparing an aromatized composition or for modifying the aroma character of an aromatized composition.

  本发明涉及2,4-二乙基辛二烯醛及其制备方法，以及将2,4-二乙基辛二烯醛用作香料化学品的用途；将2,4-二乙基辛二烯醛用于制备香料化学品组合物或改变香料化学品组合物的香气特性的用途；含有2,4-二乙基辛二烯醛的香料化学品组合物；以及制备香味化合物或改变香味化合物的香气特性的方法。
• [EN] 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS<br/>[FR] 1-ALCOXYÉTHYL-4-ISOBUTYL-BENZÈNE UTILISÉ EN TANT QU'INGRÉDIENTS AROMATIQUES
  申请人：BASF SE

  公开号：WO2020260165A1

  公开（公告）日：2020-12-30

  The presently claimed invention is directed to the use of 1-alkoxyethyl-4-isobutyl-benzene of formula (I) to impart an aroma impression to a composition. The presently claimed invention also relates to a method of imparting such aroma impression. The present invention is further directed to compositions comprising the compound of formula (I) and at least one aroma chemical as well as to compositions comprising the compound of formula (I) and at least one further component selected from the group consisting of aroma chemicals, surfactants, oil components, anti-oxidants, deodorant-active agents and solvents. The present invention also relates to a compound of formula (Iʼ).

  目前所声明的发明是针对使用式(I)的1-烷氧基乙基-4-异丁基苯来赋予组合物香气印象的。目前所声明的发明还涉及一种赋予此类香气印象的方法。本发明进一步涉及包括式(I)化合物和至少一种香料化学品的组合物，以及包括式(I)化合物和至少一种来自香料化学品、表面活性剂、油组分、抗氧化剂、除臭活性剂和溶剂组成的其他组分中选择的至少一种的组合物。本发明还涉及式(Iʼ)的化合物。
• GERANONITRILE SUBSTITUTE
  申请人：MEINE Georg

  公开号：US20070265183A1

  公开（公告）日：2007-11-15

  A fragrance preparation containing 3,7-dimethyloct-6-enenitrile and other compounds described herein is a geranonitrile substitute which has the advantages inherent to geranonitrile, such as fragrance freshness and composition stability but is less objectionable from a toxicological standpoint.

  一种含有3,7-二甲基辛-6-烯腈和其他所述化合物的香气制剂是一种代替香茅腈的物质，具有香气新鲜度和组成稳定性等香茅腈固有的优点，但从毒理学角度来看，它的不良影响更少。
• [EN] DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES<br/>[FR] DÉRIVÉS D'ÉTHER DE DIALKYLPENTÈNE ET D'ÉTHER DE DIALKYLPENTADIÈNE COMME PARFUMS
  申请人：BASF SE

  公开号：WO2022207642A1

  公开（公告）日：2022-10-06

  The present invention relates to dialkylpentene ether and dialkylpentadiene ether derivatives as fragrances. Specifically, it relates to the use of the ether derivatives as an aroma chemical and also for enhancing and/or modifying the aroma of a composition. The present invention is further directed to a composition comprising at least one dialkylpentene ether or dialkylpentadiene ether derivative and (i) at least one aroma chemical different from the dialkylpentene ether and dialkylpentadiene ether derivative or (ii) at least one non-aroma chemical carrier, or (iii) both (i) and (ii).

  本发明涉及二烷基戊烯醚和二烷基戊二烯醚衍生物作为香料。具体而言，本发明涉及使用醚衍生物作为香料化学物质，并用于增强和/或改变组合物的香气。本发明进一步涉及至少包括一种二烷基戊烯醚或二烷基戊二烯醚衍生物的组合物，以及（i）与二烷基戊烯醚和二烷基戊二烯醚衍生物不同的至少一种香料化学物质，或（ii）至少一种非香料化学载体，或（iii）同时包括（i）和（ii）。