1,1-二乙氧基-(E,Z)-2,6-壬二烯 | 67674-36-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1-二乙氧基-(E,Z)-2,6-壬二烯
• 中文别名: 2,6-壬二烯醛二乙缩醛
• 英文名称: (2E,6Z)-1,1-Diethoxynona-2,6-diene
• CAS: 67674-36-6
• 化学式: C₁₃H₂₄O₂
• 分子量: 212.33
• InChiKey: GCIRJCKOUVCUBZ-OFALOCIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20200048161A1

  公开（公告）日：2020-02-13

  The object of the present invention is to provide a process for preparing a 5-alken-1-yne compound efficiently at low costs and a process for preparing (2E,6Z)-2,6-nonadienal by making use of the aforesaid process for preparing the 5-alken-1-yne compound. There is provided a process for preparing a 5-alken-1-yne compound of the following formula (4): Y-Z-CR 1 ═CR 2 —(CH 2 ) 2 —C≡CH (4) in which Y in formula (4) represents a hydrogen atom or a hydroxyl group, the process comprising at least steps of: subjecting (i) an alkenylmagnesium halide compound prepared from a haloalkene compound of the following formula (1): Y-Z-CR 1 ═CR 2 —(CH 2 ) 2 -X 1 (1) and (ii) an alkyne compound of the following formula (2): X 2 =C≡C—Si(R 3 )(R 4 )(R 5 ) (2) to a coupling reaction to form a silane compound of the following formula (3): Y-Z-CR 1 ═CR 2 —(CH 2 ) 2 —C≡C—Si(R 3 )(R 4 )(R 5 ) (3); and subjecting the silane compound (3) to a desilylation reaction to form the 5-alken-1-yne compound (4).

  本发明的目的是提供一种以低成本高效制备5-烯-1-炔化合物的方法，以及利用上述制备5-烯-1-炔化合物的方法制备(2E,6Z)-2,6-辛二烯醛的方法。提供了一种制备以下化学式（4）的5-烯-1-炔化合物的方法：Y-Z-CR1═CR2—(CH2)2—C≡CH（4），其中化学式（4）中的Y代表氢原子或羟基，该方法包括至少以下步骤：将（i）由以下化学式（1）的卤代烯烃化合物制备的烯基镁卤化物化合物：Y-Z-CR1═CR2—(CH2)2-X1（1）和（ii）以下化学式（2）的炔烃化合物：X2=C≡C—Si(R3)(R4)(R5)（2）进行偶联反应，形成以下化学式（3）的硅烷化合物：Y-Z-CR1═CR2—(CH2)2—C≡C—Si(R3)(R4)(R5)（3）；并将硅烷化合物（3）进行去硅反应，形成5-烯-1-炔化合物（4）。
• Process for preparing (2E,6Z)-2,6-nonadienal and a process for preparing (2E)-cis 6,7-epoxy-2-nonenal
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10662166B2

  公开（公告）日：2020-05-26

  Provided herein are convenient and efficient processes for preparing (2E,6Z)-2,6-nonadienal and (2E)-6,7-epoxy-2-nonenal with a reduced number of steps. For instance, provided herein is a process for preparing (2E,6Z)-2,6-nonadienal, including at least steps of subjecting a (6,6-dialkoxy-4-hexenylidene)triarylphosphorane compound of the general formula: Ar3P═CH(CH2)2CH═CHCH(OR1)(OR2) to a Witting reaction with propanal to form a 1,1-dialkoxy-(6Z)-2,6-nonadiene compound of the general formula (6); and subjecting the 1,1-dialkoxy-(6Z)-2,6-nonadiene compound to hydrolysis to form (2E,6Z)-2,6-nonadienal. Also provided is a process for preparing (2E)-cis-6,7-epoxy-2-nonenal of the formula (8), comprising a step of subjecting (2E,6Z)-2,6-nonadienal thus obtained to epoxidation to form (2E)-cis-6,7-epoxy-2-nonenal.

  本发明提供了制备(2E,6Z)-2,6-壬二烯醛和(2E)-6,7-环氧-2-壬烯醛的方便有效的工艺，减少了步骤数。 例如，本发明提供了一种制备(2E,6Z)-2,6-壬二烯醛的工艺，至少包括以下步骤：将通式为(6,6-二烷氧基-4-亚己烯基)的三芳基磷烷化合物： Ar3P═CH(CH2)2CH═CHCH(OR1)(OR2)与丙醛进行Witting反应，生成通式(6)的1,1-二烷氧基-(6Z)-2,6-壬二烯化合物；以及将1,1-二烷氧基-(6Z)-2,6-壬二烯化合物进行水解，生成(2E,6Z)-2,6-壬二烯醛。还提供了一种制备式（8）的(2E)-顺式-6,7-环氧-2-壬烯醛的工艺，包括将由此获得的(2E,6Z)-2,6-壬二烯醛进行环氧化反应生成(2E)-顺式-6,7-环氧-2-壬烯醛的步骤。
• Process for preparing a 5-alken-1-yne compound, (6Z)-1,1-dialkoxy-6-nonen-2-yne compound, (2E,6Z)-2,6-nonadienal and (2E)-cis-6,7-epoxy-2-nonenal, and 1,1-dialkoxy-6-nonen-2-yne compound
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10781146B2

  公开（公告）日：2020-09-22

  The object of the present invention is to provide a process for preparing a 5-alken-1-yne compound efficiently at low costs and a process for preparing (2E,6Z)-2,6-nonadienal by making use of the aforesaid process for preparing the 5-alken-1-yne compound. There is provided a process for preparing a 5-alken-1-yne compound of the following formula (4): Y—Z—CR1═CR2—(CH2)2—C≡CH (4) in which Y in formula (4) represents a hydrogen atom or a hydroxyl group, the process comprising at least steps of: subjecting (i) an alkenylmagnesium halide compound prepared from a haloalkene compound of the following formula (1): Y—Z—CR1═CR2—(CH2)2—X1 (1) and (ii) an alkyne compound of the following formula (2): X2—C≡C—Si(R3)(R4)(R5) (2) to a coupling reaction to form a silane compound of the following formula (3): Y—Z—CR1═CR2—(CH2)2—C≡C—Si(R3)(R4)(R5) (3); and subjecting the silane compound (3) to a desilylation reaction to form the 5-alken-1-yne compound (4).

  本发明的目的是提供一种低成本高效率地制备 5-烯-1-炔化合物的工艺，以及利用上述制备 5-烯-1-炔化合物的工艺制备 (2E,6Z)-2,6-壬二烯醛的工艺。 本发明提供了一种制备下式（4）的 5-烯-1-炔化合物的工艺：Y-Z-CR1═CR2-(CH2)2-C≡CH(4)，其中式(4)中的Y代表氢原子或羟基，该工艺至少包括以下步骤：使(i)由下式(1)的卤代烃化合物制备的烯基卤化镁化合物：Y-Z-CR1═CR2-(CH2)2-X1(1)和(ii)下式(2)的烷烃化合物：X2-C≡C-Si(R3)(R4)(R5) (2) 进行偶联反应，生成下式(3)的硅烷化合物：Y-Z-CR1═CR2-(CH2)2-C≡C-Si(R3)(R4)(R5) (3)；将硅烷化合物(3)进行脱硅反应，形成 5-烯-1-炔化合物(4)。
• Use of volatile compounds to modulate the perception of musk
  申请人：Firmenich SA

  公开号：US11530366B2

  公开（公告）日：2022-12-20

  The various aspects presented herein relate to the perfumery industry. More particularly, the various aspects presented herein relate to compositions and/or ingredients that increase a subjects perception of musk compounds, methods for intensifying a subjects perception of musk compounds, as well as to the perfumed articles or perfuming compositions comprising as an active ingredient, a compound of Formula (I).

  本文介绍的各个方面与香水工业有关。更具体地说，本文介绍的各个方面涉及可增强受试者对麝香化合物感知的组合物和/或成分、增强受试者对麝香化合物感知的方法，以及包含式（I）化合物作为活性成分的香水产品或香水组合物。
• METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS
  申请人：FIRMENICH SA

  公开号：US20200408738A1

  公开（公告）日：2020-12-31

  The various aspects presented herein relate to the perfumery industry. More particularly, the various aspects presented herein relate to assays and methods for screening and identifying compositions and/or ingredients that intensify a subject's perception of target odorant compounds based on the use of particular olfactory receptors activated by the target odorant compound.