3,6,7-trimethyloct-6-enal | 51725-57-6

• 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: 3,6,7-trimethyloct-6-enal
• 英文别名: 3,6,7-trimethyloct-6-en-1-al；3,6,7-Trimethyl-6-octenal
• CAS: 51725-57-6
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: MLBZKAIPRQREMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• 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

• 作为反应物：
  描述：

  3,6,7-trimethyloct-6-enal 在 钯 、 氧化铂 calcium carbonate 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以There is obtained 3,6,7-trimethyl-octan-1-al as a colorless oil的产率得到3,6,7-Trimethyl-octan-1-al
  参考文献：
  名称：

  Propargyl esters of 7,11-substituted dodecadienoic acids

  摘要：

  Polyene酯，醚，氨基甲酸酯，硫酯，酰胺，羰基和腈类化合物，至少含有一对共轭双键，可用于杀死害虫（如昆虫），并通过破坏它们的激素平衡来防止这些害虫的繁殖。

  公开号：

  US03966780A1
• 作为产物：
  描述：

  3,6,7-三甲基辛-2,6-二烯醛 在 乙醇 、 镍 作用下， 生成 3,6,7-trimethyloct-6-enal
  参考文献：
  名称：

  Naves, Bulletin de la Societe Chimique de France, 1952, p. 521

  摘要：

  DOI：

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。
• Unexpected Role of Anionic Ligands in the Ruthenium-Catalyzed Base-Free Selective Hydrogenation of Aldehydes
  作者：Philippe Dupau、Lucia Bonomo、Laurent Kermorvan

  DOI：10.1002/anie.201304912

  日期：2013.10.18

  Bigger and better: The replacement of anionic chloride ligands in Noyori‐type [(diamine)(diphosphine)RuCl2] catalysts with bulky carboxylate ligands enabled the efficient selective hydrogenation of a variety of aldehydes under base‐free conditions (see scheme). Turnover numbers of up to 100 000 were reached in the presence of a bulky carboxylic acid co‐catalyst. This type of catalytic system probably

  更大，更好：用笨重的羧酸盐配体取代Noyori型[[二胺]（二膦）RuCl 2 ]催化剂中的阴离子氯化物配体，可以在无碱条件下有效地选择性氢化多种醛（参见方案）。在庞大的羧酸助催化剂的存在下，营业额高达100,000。这种类型的催化系统可能通过内球机理运行。
• [EN] CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT<br/>[FR] INGRÉDIENTS CHIMIQUEMENT STABLES EN TANT QU'ODORISANT AU CITRON
  申请人：FIRMENICH & CIE

  公开号：WO2010044031A1

  公开（公告）日：2010-04-22

  The present invention concerns some nitrile derivatives of formula (I) wherein R represents a methyl or ethyl group; R6 represents a hydrogen atom or a methyl or ethyl group; R1 and R2, taken separately, represent each a hydrogen atom or a OR7 group, R7 being a hydrogen atom or a C1-2 alkyl or acyl group; or said R1 and R2, taken together, represent an oxygen atom, a CH2 group or a carbon-carbon double bond; and - R3, R4 and R5 are each a hydrogen atom; or - a) R5 is a hydrogen atom and R3 and R4, taken together, represent an oxygen atom, a CH2 group or a carbon-carbon double bond; or - b) R4 is a hydrogen atom and R3 and R5, taken together, represent an oxygen atom, a CH2 group or a carbon-carbon double bond; which are very useful as perfuming ingredients to confer lemon type odor notes.

  本发明涉及化学式（I）的一些腈衍生物，其中R代表甲基或乙基基团；R6代表氢原子或甲基或乙基基团；R1和R2，分别取代，每个代表氢原子或OR7基团，其中R7是氢原子或C1-2烷基或酰基基团；或者所述的R1和R2，取在一起，代表氧原子，CH2基团或碳-碳双键；以及-R3，R4和R5每个代表氢原子；或-a）R5是氢原子，而R3和R4在一起代表氧原子，CH2基团或碳-碳双键；或-b）R4是氢原子，而R3和R5在一起代表氧原子，CH2基团或碳-碳双键；它们非常有用作为香料成分，赋予柠檬型气味。
• Selective hydrogenation of aldehyde with ru/bidentate ligands complexes
  申请人：FIRMENICH SA

  公开号：US09090534B2

  公开（公告）日：2015-07-28

  The present invention relates to processes for the reduction by hydrogenation, using molecular H2, of a C5-C20 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 N2P2O2, wherein the coordinating atoms N2 are provided by a first bidentate ligand, the coordinating atoms P2 are provided by a second bidentate ligand and the coordinating atoms O2 are provided by two non-linear carboxylate ligands; and—optionally of an acidic additive.

  本发明涉及使用分子氢进行还原的C5-C20底物的过程，该底物含有一个或两个醛官能团，并转化为相应的醇或二元醇。其特征在于，在至少一种催化剂或前催化剂的存在下进行该过程，所述催化剂或前催化剂以N2P2O2的配位球形形式存在，其中协同原子N2由第一双齿配体提供，协同原子P2由第二双齿配体提供，协同原子O2由两个非线性羧酸盐配体提供；以及可选的酸性添加剂。
• SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES
  申请人：Firmenich SA

  公开号：EP2970067B1

  公开（公告）日：2017-08-16