3-(4-tert-butyl-1-cyclohexen-1-yl)2-methylpropanal | 94278-42-9

• 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: 3-(4-tert-butyl-1-cyclohexen-1-yl)2-methylpropanal
• 英文别名: 3-(4-Tert-butylcyclohexen-1-yl)-2-methylpropanal
• CAS: 94278-42-9
• 化学式: C₁₄H₂₄O
• 分子量: 208.344
• InChiKey: PYJZTWHRGJHOLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• FRAGRANCES WITH NOTE OF LILY OF THE VALLEY
  申请人：Singer Emilie

  公开号：US20130090390A1

  公开（公告）日：2013-04-11

  A compound of formula (I) is described and use thereof as fragrance, especially as lily-of-the-valley fragrance and/or as an agent for increasing the substantivity and/or the retention of a fragrance preparation and/or as a fixative.

  描述了化学式（I）的化合物及其用途，特别是作为百合花香气，和/或作为增加香气制剂的持久性和/或保留性的剂，和/或作为固定剂。
• 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN- 1-YL-)ACETALDEHYDE AND 2-(6-ISOPROPYL- 3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS
  申请人：SYMRISE AG

  公开号：US20220033338A1

  公开（公告）日：2022-02-03

  The present invention relates to novel compounds of formula (I) as well as mixtures comprising or consisting of compounds of formula (I). Furthermore, the present invention relates to a process for the preparation of the compounds of formula (I) and to the use of the compounds of formula (I) as a perfuming ingredient, in particular as a lily of the valley perfuming ingredient. Ultimately, the present invention relates to perfume preparations and perfumed products or consumer goods comprising at least one of the compounds of formula (I).

  本发明涉及公式（I）的新化合物，以及包含或由公式（I）化合物组成的混合物。此外，本发明还涉及制备公式（I）化合物的方法，以及将公式（I）化合物用作香料成分，特别是用作铃兰香料成分的用途。最终，本发明涉及香水配制品和含有公式（I）化合物之一的香水产品或消费品。
• Utilization of substituted acetaldehydes with a cyclic substituent as perfuming ingredients
  申请人：Firmenich S.A.

  公开号：EP1054053A2

  公开（公告）日：2000-11-22

  A compound of formula wherein either the dotted line indicates the location of a double bond, n is equal to 1 and R represents a hydrogen atom or a methyl radical, or the dotted line indicates the location of a single bond, n is equal to 0 and R represents a hydrogen atom, is useful as a perfuming ingredient for the preparation of perfuming compositions and perfumed products, to which it imparts odor notes of the lily of the valley type.

  一种式化合物 其中，虚线表示双键的位置，n 等于 1，R 代表氢原子或甲基；或虚线表示单键的位置，n 等于 0，R 代表氢原子。
• Lily of the valley odorant
  申请人：FIRMENICH SA

  公开号：US10472591B2

  公开（公告）日：2019-11-12

  The present invention concerns a compound of formula (I) in the form of any one of its stereoisomers or as a mixture thereof, and wherein carbon 4 of the cyclohexenyl group has an absolute S configuration and R represents a hydrogen atom or a methyl group and their use in perfumery to impart odor notes of white peach and floral type.

  本发明涉及一种式（I）化合物，其形式为任意一种立体异构体或其混合物，其中环己烯基的碳 4 具有绝对 S 构型，R 代表氢原子或甲基，本发明还涉及其在香水中的用途，以赋予白桃和花香类型的气味。
• Alpha alkylation of aldehyde with a polycyclic olefin
  申请人：FIRMENICH SA

  公开号：US11319272B2

  公开（公告）日：2022-05-03

  The alpha alkylation of an aldehyde with a polycyclic olefin followed by a ring opening step is presented in order to provide a compound of formula (I) in the form of any one of its stereoisomers or a mixture thereof and where in R represents a hydrogen atom or C1-8 linear alkyl group; R1, R2, R3, and R4 represent, when taken separately, independently of each other, a hydrogen atom or a C1-2 linear alkyl group or a C3-4 linear or branched alkyl group; or R2 and R3, when taken together, represent a C4-10 linear, branched or cyclic alkanediyl group and n is 1 or 2 is presented.

  通过使用聚环烯烃对一种醛进行α-烷基化反应，随后进行开环步骤，以提供具有以下结构式(I)的化合物，无论是其任何一种立体异构体还是这些异构体的混合物，其中：R代表一个氢原子或一个C1-8直链烷基；R1、R2、R3和R4各自独立地代表一个氢原子、一个C1-2直链烷基或一个C3-4直链或支链烷基；或者当R2和R3一起时，代表一个C4-10直链、支链或环状亚烷基；n为1或2。