2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-al | 65114-01-4

• 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-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-al
• 英文别名: 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-al；2-methyl-4-(2,2,3-trimethyl-cyclopent-3-enyl)-but-2-enal；2-Methyl-4-(2,2,3-trimethylcyclopent-3-enyl)but-2-enal；2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal
• CAS: 65114-01-4
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: AAPLYDDEQVREDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-al 在 copper-zinc-catalyst, calcined 氢气 作用下， 以 甲醇 为溶剂， 55.0~65.0 ℃ 、25.0 MPa 条件下， 以86%的产率得到2-甲基-4-(2,2,3-三甲基-3-环戊烯-1-基)-2-丁烯-1-醇
  参考文献：
  名称：

  VERFAHREN ZUR HERSTELLUNG VON ALKYL-SUBSTITUIERTEN BUTENOLEN

  摘要：

  公开号：

  EP1212272B1
• 作为产物：
  描述：

  丙醛 在 二正丁胺 、 己酸 作用下， 反应 7.0h， 以94%的产率得到2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-al
  参考文献：
  名称：

  WO2007/63703

  摘要：

  公开号：

文献信息

• Use of campholenic derivatives as fragrant ingredients in perfumery and flavouring
  申请人：V. Mane Fils

  公开号：EP1930317A1

  公开（公告）日：2008-06-11

  This invention relates to campholenic derivatives of general formula (I) Wherein R1, R2, R3, R4 and R5 represent, each independently, a hydrogen atom or a linear or branched C1-C5 alkyl or C1-C5 alkenyl group, Y represents a CN, a C(O)R6 or a CR6 (ORα) (ORβ) group, wherein R6 represents a hydrogen atom or a linear or branched C1-C5 alkyl or C1-C5 alkenyl group, and Rα and Rβ represent simultaneously a linear or branched C1, C2, C3, C4 or C5 alkyl or alkenyl group and can form together a cycle, the 5-membered ring is saturated or has a double bond between C3' and C4' in formula (I), and the side chain, optionally, has a double bond between C1 and C2 and/or between C3 and C4, provided that the derivative is not 3-methyl-6-(2,2,3-trimethyl-cyclopent-3-enyl)-hex-4-enal; and their use as fragrant or flavouring agent.

  本发明涉及一般式（I）的萜烯衍生物，其中R1、R2、R3、R4和R5分别表示氢原子或线性或支链C1-C5烷基或C1-C5烯基基团，Y表示CN、C（O）R6或CR6（ORα）（ORβ）基团，其中R6表示氢原子或线性或支链C1-C5烷基或C1-C5烯基基团，而Rα和Rβ同时表示线性或支链C1、C2、C3、C4或C5烷基或烯基基团，并可形成一个环，5-成员环在公式（I）中是饱和的或在C3'和C4'之间具有双键，侧链可选地在C1和C2之间和/或在C3和C4之间具有双键，前提是该衍生物不是3-甲基-6-（2,2,3-三甲基环戊-3-烯基）-己-4-烯醛；以及它们作为香料或调味剂的用途。
• (2R*,3S*)-(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-
  申请人：Givaudan Corporation

  公开号：US04696766A1

  公开（公告）日：1987-09-29

  (2R*,3S*)-(E)-3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol possesses a very intense creamy, woody, musk, sandalwood odor and is a valuable ingredient for use in fragrance compositions for its musk and sandalwood-like qualities. This odorant is more intense than any of the campholenic aldehyde derivatives that have been previously reported.

  (2R*,3S*)-(E)-3-甲基-5-(2,2,3-三甲基环戊-3-烯-1-基)戊-4-烯-2-醇具有非常浓郁的奶油、木质、麝香和檀香气味，是一种有价值的成分，可用于香料组合中，因其类似麝香和檀香的特性。这种气味比以前报道的任何樟脑醛衍生物都更浓烈。
• 3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol compound and
  申请人：Givaudan Corporation

  公开号：US04052341A1

  公开（公告）日：1977-10-04

  3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol possesses a strong, precious woody odor reminiscent of sandalwood oil and is especially valuable in fragrance compositions.

  3-甲基-5-(2,2,3-三甲基环戊-3-烯-1-基)戊-2-醇具有强烈、珍贵的木质气味，让人联想到檀香油，尤其在香料组合中非常有价值。
• Odorants
  申请人：Givaudan Roure (International) SA

  公开号：US06235943B1

  公开（公告）日：2001-05-22

  The invention relates to compounds of the general formula in which R1 to R7 are, independently, H, methyl or ethyl, R8+R9 together form methylene (—CH2—) or a single bond, or R1+R2 together form —(CH2)n—, with n being 3 or 4, or R3+R5 or R5+R7 represent methylene or a single bond; and the presence of at least one cyclopropane ring in the molecule is compulsory and the side chain can be saturated or contains one double bond in position &agr;,&bgr; or &bgr;,&ggr;, a process for the manufacture of these compounds, compounds used to perform the process and the use of these compounds as an odorant or as an ingredient of an odorant composition.

  本发明涉及一般式化合物，其中R1至R7独立地为H、甲基或乙基，R8+R9共同形成亚甲基（-CH2-）或单键，或R1+R2共同形成-( )n-，其中n为3或4，或R3+R5或R5+R7代表亚甲基或单键；分子中至少存在一个环丙烷环是强制性的，侧链可以是饱和的或在α，β或β，γ位置含有一个双键。本发明还涉及一种制造这些化合物的方法、用于执行该过程的化合物以及将这些化合物用作香气剂或香气剂组合物的成分的用途。
• Process for preparing unsaturated alcohol
  申请人：Kao Corporation

  公开号：US05874649A1

  公开（公告）日：1999-02-23

  The object of the present invention resides in efficiently providing unsaturated alcohol from an .alpha.,.beta.-unsaturated aldehyde. The present invention provides a process for preparing unsaturated alcohol by selectively reducing the aldehyde group of an .alpha.,.beta.-unsaturated aldehyde in the presence of a primary or a secondary alcohol having 2 to 8 carbon atoms using an aluminum alcoholate to produce an unsaturated alcohol such as compounds represented by the formula (III). ##STR1## (wherein R represents an alkyl group having 1 to 3 carbon atoms) wherein the reaction is carried out with addition of a protonic acid.

  本发明的目的在于从α，β-不饱和醛中高效地提供不饱和醇。本发明提供了一种通过在具有2至8个碳原子的一次或二次醇的存在下，使用铝醇盐选择性还原α，β-不饱和醛的醛基来制备不饱和醇的过程，以产生不饱和醇，例如由公式（III）表示的化合物。##STR1##（其中R表示具有1至3个碳原子的烷基），其中在加入质子酸的情况下进行反应。