2,3-dimethyl-4-isopropenylcyclohexanone | 50910-65-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,3-dimethyl-4-isopropenylcyclohexanone
• 英文别名: 2,3-dimethyl-5-isopropenylcyclohexanone；5-isopropenyl-2,3-dimethyl-cyclohexanone；1.2-Dimethyl-4-methoaethylen-cyclohexanon-(6)；5-Isopropenyl-2,3-dimethyl-cyclohexanon；2-Methyl-p-menthen-(8(9))-on-(6)；Methyldihydrocarvon；2,3-dimethyl-5-prop-1-en-2-ylcyclohexan-1-one
• CAS: 50910-65-1
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: PDQZUYSZUDHVRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  香芹酮 、 三甲基铝 在 bis(acetylacetonate)nickel(II) 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以88%的产率得到2,3-dimethyl-4-isopropenylcyclohexanone
  参考文献：
  名称：

  Nickel-Catalysed Conjugate Addition of Trimethylaluminum to Sterically Hindered α,β-Unsaturated Ketones

  摘要：

  醋酸镍是一种高效的催化剂，能够促进三甲基铝对α,β-不饱和酮的1,4-加成。该反应对溶剂有很强的依赖性，在四氢呋喃或乙酸乙酯中能取得最佳效果。该反应尤其适用于对空间位阻较大的酮进行亲核性的1,4-甲基转移。文中描述了一种通过对酮前体进行共轭甲基团加成合成β-氟喹啉的方法。

  DOI：

  10.1055/s-1995-3901

文献信息

• [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')。
• THIOETHER DERIVATIVES AS PRECURSORS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES
  申请人：FIRMENICH SA

  公开号：US20160222327A1

  公开（公告）日：2016-08-04

  The present invention relates to the field of perfumery. More particularly, it concerns short chain β-sulfur carbonyl moieties capable of liberating an active molecule, such as a perfuming α,β-unsaturated ketone or aldehyde. 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.

  本发明涉及香水领域。更具体地，涉及能释放活性分子的短链β-硫醛基团，例如香料α，β-不饱和酮或醛。本发明还涉及在香水中使用所述化合物，以及包含本发明化合物的香水组合物或香味物品。
• POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES
  申请人：Berthier Damien

  公开号：US20100098649A1

  公开（公告）日：2010-04-22

  The present invention relates to the field of perfumery. More particularly, it concerns co-polymers, derived from a maleic anhydride derivative and a ethylenic derivative, comprising at least one β-oxy or β-thio carbonyl moiety capable of liberating an active molecule such as, for example, an α,β-unsaturated ketone, aldehyde or carboxylic ester. The present invention concerns also the use of polymers or co-polymers in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds.

  本发明涉及香料领域。更具体地，涉及由马来酸酐衍生物和乙烯衍生物组成的共聚物，其中包含至少一个β-氧或β-硫酰基团，能够释放出活性分子，例如α，β-不饱和酮，醛或羧酸酯。本发明还涉及在香料中使用聚合物或共聚物，以及包含本发明化合物的香料成分或香味物品。
• COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE PERFUMING MOLECULES
  申请人：FIRMENICH SA

  公开号：US20150045274A1

  公开（公告）日：2015-02-12

  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，该化合物能够释放出从α，β-不饱和酮，醛或腈中选出的活性分子。本发明还涉及在香料中使用该化合物以及包含本发明化合物的香料组合物或香料制品。其中：a）m表示1到6的整数；b）Pro表示氢原子或易于产生具有气味的α，β-不饱和酮，醛或腈的基团，并由公式（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；并且其中至少一个Pro基团是公式（II）或（II'）。
• COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES
  申请人：Fehr Charles

  公开号：US20090181878A1

  公开（公告）日：2009-07-16

  The present invention relates to the field of perfumery. More particularly, it concerns compounds comprising at least one β-oxy or β-thio carbonyl moiety capable of liberating a perfuming molecule such as, for example, an α,β-unsaturated ketone, aldehyde or carboxylic ester. The present invention concerns also the use of the compounds in perfumery as well as the perfuming compositions or perfumed articles comprising the invention's compounds.

  本发明涉及香料领域，更具体地涉及包含至少一个β-氧或β-硫代羰基团的化合物，能够释放出香味分子，例如α，β-不饱和酮，醛或羧酸酯。本发明还涉及在香料中使用这些化合物，以及包含本发明化合物的香料配方或香味物品。