2-苯基-己-2-烯腈 | 6519-09-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-苯基-己-2-烯腈
• 英文名称: 1-Phenyl-1-cyano-pent-1-en
• 英文别名: 2-phenyl-hex-2-enenitrile；2-Phenyl-hex-2-ennitril；2-Phenylhex-2-enenitrile
• CAS: 6519-09-1
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: UYBGOPSMJQAVEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 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

• 作为反应物：
  描述：

  2-苯基-己-2-烯腈 在 双氧水 、 sodium carbonate 、 丙酮 作用下， 生成 α-phenyl-β-propyl-glycidamide
  参考文献：
  名称：

  The Formation of Glycidamides by the Action of Hydrogen Peroxide on α,β-Ethylenic Nitriles¹

  摘要：

  DOI：

  10.1021/ja01327a070
• 作为产物：
  描述：

  苯乙腈 、 正丁醛 在 乙醇 、 sodium ethanolate 作用下， 生成 2-苯基-己-2-烯腈
  参考文献：
  名称：

  The Formation of Glycidamides by the Action of Hydrogen Peroxide on α,β-Ethylenic Nitriles¹

  摘要：

  DOI：

  10.1021/ja01327a070

文献信息

• [EN] CLEAVABLE MULTI-ALCOHOL-BASED MICROCAPSULES<br/>[FR] MICROCAPSULES CLIVABLES À BASE D'ALCOOLS MULTIPLES
  申请人：FIRMENICH & CIE

  公开号：WO2021023645A1

  公开（公告）日：2021-02-11

  The present invention relates to a new process for the preparation of microcapsules based on cleavable multi-alcohols. Cleavable multi-alcohol-based microcapsules are also an object of the invention. Perfuming compositions and consumer products comprising said capsules, in particular perfumed consumer products in the form of home care or personal care products, are also part of the invention.

  本发明涉及一种基于可切割多醇制备微胶囊的新工艺。可切割多醇基微胶囊也是本发明的对象。包括这些胶囊的香料组合物和消费品，特别是家居护理或个人护理产品形式的香料消费品，也属于本发明的一部分。
• [EN] COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE PERFUMING MOLECULES<br/>[FR] COMPOSÉS POUR UNE LIBÉRATION CONTRÔLÉE DE MOLÉCULES PARFUMANTES ACTIVES
  申请人：FIRMENICH & CIE

  公开号：WO2013139766A1

  公开（公告）日：2013-09-26

  The present invention relates to the field of perfumery. More particularly, it concerns compounds comprising at least one β-thio carbonyl or nitrile moiety capable of liberating an active molecule selected from an α,β-unsaturated ketone, aldehyde or nitrile. The present invention concerns also the use of said compounds in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds. (I) wherein: a) m represents an integer from 1 to 6; b) Pro represents a hydrogen atom or a group susceptible of generating an odoriferous α,β-unsaturated ketone, aldehyde or nitrile and is represented by the formulae (II) or (II') in which the wavy line indicates the location of the bond between said Pro and the sulfur atom S; and at least one of the Pro groups is of the formula (II) or (II').

  本发明涉及香料领域。更具体地，涉及包含至少一个β-硫代羰基或硫代腈基团的化合物，能够释放所选的α，β-不饱和酮，醛或腈活性分子。本发明还涉及在香料中使用所述化合物，以及包含本发明化合物的调香组合物或香料制品。(I)其中：a) m代表1到6之间的整数；b) Pro代表氢原子或能够产生具有气味的α，β-不饱和酮，醛或腈的基团，并由式(II)或(II')表示，其中波浪线表示Pro与硫原子S之间的键的位置；并且至少一个Pro基团为式(II)或(II')。
• [EN] ALDEHYDES AS PERFUMING INGREDIENTS<br/>[FR] ALDÉHYDES EN TANT QU'INGRÉDIENTS DE PARFUM
  申请人：FIRMENICH & CIE

  公开号：WO2013117433A1

  公开（公告）日：2013-08-15

  The present invention relates to an aldehyde of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein each dotted line, independently from each other, represents a single or double bond; n is 0 or 1; R1 represents a hydrogen atom or a methyl group; R2 represents a hydrogen atom or a methyl or ethyl group; and R3, which is a substituent in any of the positions 2 to 6 of the cyclic moiety, represents a hydrogen atom or a methyl or ethyl group, or a CH2 group bridging positions 3 and 6; and its use as perfuming ingredient, for instance to impart odor notes of the aldehyde, lily of the valley type.

  本发明涉及式(I)的醛的任一立体异构体或其混合物的形式，其中每个虚线独立地表示单键或双键；n为0或1；R1代表氢原子或甲基基团；R2代表氢原子或甲基或乙基基团；R3是环状部分的2到6位置中的取代基，代表氢原子或甲基或乙基基团，或者是桥接3和6位置的CH2基团；以及其作为香料成分的用途，例如用于赋予醛的麝香鸢尾花型气味音符。
• [EN] BI-CYCLO ALDEHYDE AS PERFUMING INGREDIENT<br/>[FR] ALDÉHYDE BICYCLIQUE EN TANT QU'INGRÉDIENT PARFUMANT
  申请人：FIRMENICH & CIE

  公开号：WO2015000821A1

  公开（公告）日：2015-01-08

  The present invention relates to the field of perfumery and concerns some bi-cyclo derivative of formula (I), wherein R1 represents a hydrogen atom or a C1-2 alkyl group; R2 represents a hydrogen atom or a methyl group; and A represents a group of formula C3-5 alkanediyl group; at least one of said R1 or R2 represents a group containing at least one carbon atom; and said compound being in the form of a E or Z isomer or of a mixture thereof. Said compounds are valuable perfuming ingredients capable of imparting lily of the valley and citrus notes.

  本发明涉及香水领域，涉及一种具有式(I)的双环衍生物，其中R1表示氢原子或C1-2烷基；R2表示氢原子或甲基；A表示C3-5链烷二基团；至少R1或R2之一表示至少含有一个碳原子的基团；该化合物以E或Z异构体或其混合物的形式存在。这些化合物是有价值的香料成分，能够赋予铃兰和柑橘调。
• Sustainable Alkylation of Nitriles with Alcohols by Manganese Catalysis
  作者：Jannik C. Borghs、Mai Anh Tran、Jan Sklyaruk、Magnus Rueping、Osama El-Sepelgy

  DOI：10.1021/acs.joc.9b00792

  日期：2019.6.21

  A general and chemoselective catalytic alkylation of nitriles using a homogeneous nonprecious manganese catalyst is presented. This alkylation reaction uses naturally abundant alcohols and readily available nitriles as coupling partners. The reaction tolerates a wide range of functional groups and heterocyclic moieties, efficiently providing useful cyanoalkylated products with water as the only side

  提出了使用均质的非贵金属锰催化剂对腈进行的一般和化学选择性催化烷基化反应。该烷基化反应使用天然丰富的醇和易于获得的腈作为偶联伙伴。该反应耐受广泛的官能团和杂环部分，有效地提供有用的氰基烷基化产物，其中水作为唯一的副产物。重要的是，可以将甲醇用作C1来源，并实现腈的化学选择性C-甲基化。机理研究支持金属-配体锰催化剂的多重作用，醇的脱氢活化，腈的α-C-H活化以及原位形成的不饱和中间体的氢化作用。