2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal | 19009-53-1

• 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-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
• 英文别名: 2-methyl-3-(4-propan-2-ylcyclohexen-1-yl)propanal
• CAS: 19009-53-1
• 化学式: C₁₃H₂₂O
• 分子量: 194.317
• InChiKey: YWGFDOIOHHXYKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 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：

  (1R,5R)-(+)-β-pinene 、 丙醛 生成 2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
  参考文献：
  名称：

  TABBAA, I.;CAZAUX, M.;LALANDE, R., BULL. SOC. CHIM. BELG., 1983, 92, N 11-12, 1011-1018

  摘要：

  DOI：

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。
• [EN] LILY OF THE VALLEY ODORANT<br/>[FR] SUBSTANCE ODORANTE AU PARFUM DE MUGUET
  申请人：FIRMENICH & CIE

  公开号：WO2018114844A1

  公开（公告）日：2018-06-28

  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.

  本发明涉及公式（I）的化合物，其以其立体异构体中的任何一种形式存在，其中环己烯基的碳4具有绝对S构型，R代表氢原子或甲基基团，并且它们在香水中的使用可赋予白桃和花香类型的气味音符。
• 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。
• Cyclohexene derivatives as perfuming ingredients
  申请人：Firmenich SA

  公开号：US10934240B2

  公开（公告）日：2021-03-02

  The present invention concerns a compound of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein n is 0 or 1; R and R′, independently from each other, represent a hydrogen atom or a C1-2 linear alkyl group provided that one of said groups represents a hydrogen atom and the other a C1-2 linear alkyl group; each R1, independently from each other, represents a hydrogen atom or a methyl group; and R2 and R3 represent, independently of each other, a C1-3 linear alkyl group; or R2 and R3, when taken together, represent a C4-5 linear, branched alkanediyl or alkenediyl. The use of compound of formula (I) as perfuming ingredients of floral type and the invention's compounds as part of a perfuming composition or of a perfuming consumer product are also part of the present invention.

  本发明涉及式(I)化合物，其形式为其任意一种立体异构体或其混合物，其中n为0或1；R和R′彼此独立地代表氢原子或C1-2直链烷基，条件是所述基团之一代表氢原子，另一个代表C1-2直链烷基；每个 R1 相互独立地代表氢原子或甲基；R2 和 R3 相互独立地代表 C1-3 直链烷基；或 R2 和 R3 合在一起代表 C4-5 直链、支链烷二基或烯二基。将式（I）化合物用作花香型香水成分以及将本发明化合物用作香水组合物或香水消费品的一部分也是本发明的一部分。
• 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。