2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-but-2-en-al | 179107-88-1

• 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-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-but-2-en-al
• 英文别名: (E)-2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1'-yl)-2-buten-1-al；2-ethyl-4-(2,2,3-trimethyl-cyclopent-3-enyl)-but-2-enal；2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-butenal；(E)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal
• CAS: 179107-88-1
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: RJTHDCSHVMQKDQ-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-but-2-en-al 在 Ru(ethP₂N₂)(OAc)2 氢气 、 potassium isopropoxide 作用下， 以 异丙醇 为溶剂， 60.0 ℃ 、4.5 MPa 条件下， 反应 20.0h， 以55%的产率得到2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-but-2-en-1-ol
  参考文献：
  名称：

  Process for hydrogenation of carbonyl and iminocarbonyl compounds using ruthenium catalysts comprising tetradentate diimino-diphosphine ligands

  摘要：

  一种用分子氢（H2）进行加氢的催化体系的方法，其中催化体系包括一种碱和一个具有以下公式的配合物：（II），其中Y同时或独立地代表氢或卤素原子、羟基、烷氧基、羧基或其他阴离子基团，而N2P2是一种四齿二亚胺-二膦配体。

  公开号：

  US20040015017A1

文献信息

• SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES
  申请人：FIRMENICH SA

  公开号：US20140243526A1

  公开（公告）日：2014-08-28

  The present invention relates to processes for the reduction by hydrogenation, using molecular H 2 , of a C 5 -C 20 substrate containing one or two aldehydes functional groups into the corresponding alcohol or diol, characterized in that said process is carried out in the presence of —at least one catalyst or pre-catalyst in the form of a ruthenium complex having a coordination sphere of the N 2 P 2 O 2 , wherein the coordinating atoms N 2 are provided by a first bidentate ligand, the coordinating atoms P 2 are provided by a second bidentate ligand and the coordinating atoms O 2 are provided by two non-linear carboxylate ligands; and —optionally of an acidic additive.

  本发明涉及利用分子H2对含有一个或两个醛基官能团的C5-C20底物进行加氢还原的过程，将其转化为相应的醇或二醇，其特征在于所述过程在以下条件下进行：—至少一种催化剂或前驱体存在，其形式为具有N2P2O2配位球的钌配合物，其中配位原子N2由第一双齿配体提供，配位原子P2由第二双齿配体提供，配位原子O2由两个非线性羧酸盐配体提供；和—可选地加入酸性添加剂。
• HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES
  申请人：Saudan Sylvia Joyeuse Adélaïde Ada

  公开号：US20130274487A1

  公开（公告）日：2013-10-17

  The present invention relates to the field of catalytic hydrogenation and, more particularly, to the use of specific ruthenium catalysts, or pre-catalysts, in hydrogenation processes for the reduction of ketones and/or aldehydes into the corresponding alcohol respectively. Said catalysts are ruthenium complexes comprising a tetradentate ligand (L4) coordinating the ruthenium with: two nitrogen atoms, each in the form of a primary or secondary amine (i.e. a NH 2 or NH group) or N-alkyl imine functional groups (i.e. a C═N group), and two sulfur atoms, each in the form of thioether functional groups.

  本发明涉及催化加氢领域，更具体地涉及在氢化过程中使用特定的钌催化剂或前驱体，用于将酮和/或醛还原为相应的醇。所述催化剂是包括一个四齿配体（L4）与钌配位的钌络合物，其中：两个氮原子，每个以一种主要或次要胺（即NH2或NH基团）或N-烷基亚胺功能基团（即C═N基团）的形式存在，以及两个硫原子，每个以硫醚功能基团的形式存在。
• 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。
• USE OF NEW CAMPHOLENIC DERIVATIVES AS FRAGRANT INGREDIENTS IN PERFUMERY AND FLAVOURING
  申请人：Mane Jean

  公开号：US20080138482A1

  公开（公告）日：2008-06-12

  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 C 1 -C 5 alkyl or C 2 -C 5 alkenyl group, Y represents a CN, a C(O)R 6 or a CR 6 (OR α ) (OR β ) group, wherein R 6 represents a hydrogen atom or a linear or branched C 1 -C 5 alkyl or C 2 -C 5 alkenyl group, and R α and R β represent simultaneously a linear or branched C 1 , C 2 , C 3 , C 4 or C 5 alkyl or C 2 , C 3 , C 4 or C 5 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.

  本发明涉及通式（I）的香松烯衍生物，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C2-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C2-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C2、C3、C4或C5烯基基团，并且可以一起形成一个环，式（I）中的5-成员环是饱和的或在C3'和C4'之间具有双键，而侧链可选择在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。
• Catalytic hydrogenation processes
  申请人：Rautenstrauch Valentin

  公开号：US20050245748A9

  公开（公告）日：2005-11-03

  The catalysts of formula (II): [Ru(L) m (L′) w XY], wherein X and Y represent simultaneously or independently a hydrogen or halogen atom, a hydroxy group, or an alkoxy, carboxyl or other anionic radical, m is 1 or 2, w is 1 when m is 1 and w is 0 when m is 2, L is a phosphino-amine or phosphino-imine bidentate ligand and L′ a diphosphine, are useful for the hydrogenation of substrates having a carbon-hetero atom double bond.

  式子（II）的催化剂：[Ru（L）m（L'）wXY]，其中X和Y同时或独立地表示氢原子或卤素原子，羟基，或烷氧基，羧基或其他阴离子基团，m为1或2，当m为1时，w为1，当m为2时，w为0，L为膦胺或膦亚胺双齿配体，L'为双膦配体，适用于具有碳-杂原子双键的底物的加氢反应。