3-methyl-4-hexenal | 16134-68-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-4-hexenal
• 英文别名: 3-methyl-hex-4t-enal；trans-3-Methyl-hexen-(4)-al-(1)；trans-3-Methyl-4-hexenal；(E)-3-methylhex-4-enal
• CAS: 16134-68-2
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: SFHNIEDUPNZZLF-ONEGZZNKSA-N

物化性质

• 沸点：
  144.5±9.0 °C(Predicted)
• 密度：
  0.828±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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-methyl-4-hexenal 在 palladium on activated charcoal 氢气 作用下， 生成 3-甲基己醛
  参考文献：
  名称：

  The Steric Course of the Claisen Rearrangement

  摘要：

  An infrared study of the stereochemistry attending the Claisen rearrangement of cis- and trans-alpha,gamma-dimethylallyl and two other related vinyl ethers has shown that the reaction produces essentially only trans substituted allylacetaidehydes. The double bond in the o-Claisen rearrangement product of trans-alpha, gamma-dimethylallyl phenyl ether has also been demonstrated by infrared absorption to be predominantly trans. The transition state geometry of the Claisen rearrangement implied by these findings is discussed.

  DOI：

  10.1021/ja01502a057
• 作为产物：
  描述：

  4-己烯-1-醇,3-甲基-,(4E)- 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-methyl-4-hexenal
  参考文献：
  名称：

  Asymmetric synthesis of threo β-hydroxy-α-N-methyl amino acids and MeBMT analogs via epoxides1. (Part 1)

  摘要：

  DOI：

  10.1016/s0040-4039(00)80717-0

文献信息

• Tandem Pd(II)-Catalyzed Vinyl Ether Exchange−Claisen Rearrangement as a Facile Approach to γ,δ-Unsaturated Aldehydes
  作者：Xudong Wei、Jon C. Lorenz、Suresh Kapadia、Anjan Saha、Nizar Haddad、Carl A. Busacca、Chris H. Senanayake

  DOI：10.1021/jo062548f

  日期：2007.5.1

  A sequential allyl vinyl ether formation−Claisen rearrangement process catalyzed by a palladium(II)−phenanthroline complex is reported. The effects of allylic alcohol structure, type of vinylating agent, and palladium catalysts are discussed. This method provides a convenient approach to γ,δ-unsaturated aldehydes under mild conditions that avoid the use of toxic Hg(II) catalysts. The new methodology

  报道了钯（II）-菲咯啉配合物催化的烯丙基乙烯基醚的顺序形成-克莱森重排过程。讨论了烯丙醇结构，乙烯基化剂类型和钯催化剂的影响。该方法提供了一种在温和条件下避免使用有毒的Hg（II）催化剂的γ，δ-不饱和醛的简便方法。新方法已经成功地在千克规模上得到了证明。
• NOVEL 9,10-BIS(1,3-DITHIOL-2-YLIDENE)-9,10-DIHYDROANTHRACENE POLYMERS AND USE THEREOF
  申请人：HAEUPLER Bernhard

  公开号：US20170179525A1

  公开（公告）日：2017-06-22

  The problem addressed was that of providing novel polymers which are preparable with a low level of complexity, with the possibility of controlled influence on the physicochemical properties thereof within wide limits in the course of synthesis, and which are usable as active media in electrical charge storage elements for high storage capacity, long lifetime and stable charging/discharging plateaus. 9,10-Bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene polymers consisting of an oligomeric or polymeric compound of the general formula I have been found.

  所解决的问题是提供可用于高储存容量、长寿命和稳定充放电平台的电荷储存元件的活性介质的新型聚合物，其制备复杂度低，并且在合成过程中可以对其物理化学性质进行广泛控制。已发现由一般式I的寡聚物或聚合物化合物组成的9,10-双(1,3-二硫代-2-亚甲基)-9,10-二氢蒽聚合物。
• Management of Ophthalmologic Disorders, Including Macular Degeneration
  申请人：Rando Robert R.

  公开号：US20080176952A1

  公开（公告）日：2008-07-24

  A drug may be used in the preparation of a medicament for the treatment or prevention of an ophthalmologic disorder, wherein the drug inhibits, antagonizes, or short circuits the visual cycle at a step of the visual cycle that occurs outside a disc of a rod photoreceptor cell.

  一种药物可用于制备用于治疗或预防眼科疾病的药物，其中该药物抑制、拮抗或短路视觉周期，在视网膜杆细胞盘外发生的视觉周期步骤中。
• ANGIOTENSIN II RECEPTOR ANTAGONISTS
  申请人：Ali Amjad

  公开号：US20100273845A1

  公开（公告）日：2010-10-28

  A compound having the structure wherein R is an angiotensin receptor antagonist active group, and Y is 1) —(CH 2 ) 3 R 5 , 2) —C(O)(CH 2 ) 2 R 5 , 3) —C(R 1 R 2 )OC(O)O(CH 2 ) n R 5 , wherein n is 1 or 2, 4) —C(R 1 R 2 )OC(O)CH 2 CH 2 R 5 , 5) —C(R 1 R 2 )OC(O)OCH 2 CH 2 C(R 3 R 4 )R 5 , provided that when Y is —C(O)(CH 2 ) 2 R 5 , then R is R 1 , R 2 , R 3 and R 4 are independently selected from the group consisting of hydrogen and C 1-4 alkyl; R 5 is —CH(ONO 2 )CH(ONO 2 )R 6 ; R 6 is selected from CH 3 , CH 2 CH 3 and CH(CH 3 ) 2 ; or a pharmaceutically acceptable salt or hydrate thereof, which is useful for treating hypertension.

  一种具有以下结构的化合物，其中R为血管紧张素受体拮抗剂活性基团，Y为1）—（CH2）3R5，2）—C（O）（CH2）2R5，3）—C（R1R2）OC（O）O（CH2）nR5，其中n为1或2，4）—C（R1R2）OC（O）CH2CH2R5，5）—C（R1R2）OC（O）OCH2CH2C（R3R4）R5，前提是当Y为—C（O）（CH2）2R5时，R为R1，R2，R3和R4中的任意一种，其选择自氢和C1-4烷基的群；R5为—CH（ONO2）CH（ONO2）R6；R6选择自CH3，CH2CH3和CH（CH3）2；或其药学上可接受的盐或水合物，用于治疗高血压。
• Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery
  申请人：WASEDA UNIVERSITY

  公开号：US10164258B2

  公开（公告）日：2018-12-25

  A fused-ring quinone-substituted polynorbornene has recurring units of formula (1) and/or (2) below. In formulas (1) and (2), A1 is independently a substituent of formula (3) or (4) below, n is an integer from 1 to 6, and A2 is a substituent of formula (5) or (6) below. In formulas (3) to (6), each X is independently a single bond or a divalent group, and Ar1 and Ar2 are each independently an aromatic hydrocarbon ring or an oxygen atom or sulfur atom-containing aromatic heterocycle that forms together with two carbon atoms on a benzoquinone skeleton. This polymer has charge-storing properties and, when used as an electrode active material, is capable of providing a high-performance battery possessing high capacity, high rate characteristics and high cycle characteristics.

  融合环醌代聚降冰片烯具有下式（1）和/或（2）的重复单元。 在式(1)和(2)中，A1 独立地是下式(3)或(4)的取代基，n 是 1 至 6 的整数，A2 是下式(5)或(6)的取代基。 在式(3)至式(6)中，每个 X 独立地为单键或二价基团，Ar1 和 Ar2 独立地为芳香烃环或与苯醌骨架上的两个碳原子共同形成的含氧原子或硫原子的芳香杂环。这种聚合物具有电荷储存特性，用作电极活性材料时，能够提供具有高容量、高倍率特性和高循环特性的高性能电池。