6-甲基环己-1,3-二烯-1-甲醛 | 4748-86-1

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 中文名称: 6-甲基环己-1,3-二烯-1-甲醛
• 英文名称: 6-methylcyclohexa-1,3-diene-1-carbaldehyde
• 英文别名: 6-methyl-1,3-cyclohexadiene-1-carboxaldehyde；6-methylcyclohexa-1,3-dienecarboxaldehyde；1-formyl-6-methyl-1,3-cyclohexadiene；2,3-Dihydro-2-methyl-benzaldehyd；6-methyl-cyclohexa-1,3-dienecarbaldehyde；6-Methyl-cyclohexa-1,3-diencarbaldehyd
• CAS: 4748-86-1
• 化学式: C₈H₁₀O
• 分子量: 122.167
• InChiKey: UINSAUGFYNAHOP-UHFFFAOYSA-N

物化性质

• 沸点：
  79.5-80.5 °C(Press: 19 Torr)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  6-甲基环己-1,3-二烯-1-甲醛 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Bernhauer; Neubauer, Biochemische Zeitschrift, 1932, vol. 251, p. 179

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(4-chlorophenyl)selanyl-6-methylcyclohex-3-ene-1-carbaldehyde 生成 6-甲基环己-1,3-二烯-1-甲醛
  参考文献：
  名称：

  电化学羟基硒烯化作为3-羟基炔烃一步制备α-芳基硒代α，β-不饱和醛的新方法

  摘要：

  在碳酸二芳基diselenides在MeCNH存在的3- hydroxyalkynes电化学氧化2 ö提供α-arylseleno-α，β不饱和醛在62 - 94％的收率炔烃的hydroxyselenenylation。

  DOI：

  10.1016/s0040-4039(00)87049-5

文献信息

• Diels–Alder route to potential trichothecene precursors
  作者：Robert E. Banks、J. Allen Miller、M. John Nunn、Philip Stanley、Timothy J. R. Weakley、Zakir Ullah

  DOI：10.1039/p19810001096

  日期：——

  2-Methylbut-3-yn-2-ol (9) is efficiently converted into 6-formyl-3,6-dimethylcyclohex-2-enyl acetate (4b) and into 6-acetyl-3,6-dimethylcyclohex-2-enyl acetate (4c)via highly regio- and stereo-selective Diels–Alder cycloadditions of 3-methylbuta-1,3-dienyl acetate (2b). The cycloadduct (4b) is converted by base into 4a,5,6,8a-tetrahydro-4a,7-dimethylcoumarin (13b), whilst the cycloadduct (4c) yields 2,3,4a

  2-甲基丁-3-yn-2-ol（9）有效地转化为6-甲酰基-3,6-二甲基环己-2-烯基乙酸酯（4b）和6-乙酰基3,6-二甲基环己-2-烯基通过高度区域选择性和立体选择性的Diels-Alder环加成乙酸3-甲基丁酯1，，3-二烯基乙酸酯（2b）生成乙酸酯（4c ）。环加合物（4b）被碱转化为4a，5,6,8a-四氢-4a，7-二甲基香豆素（13b），而环加合物（4c）产生2,3,4a，5,6,8a-六氢- 2-羟基-2,4a，7-三甲基苯并吡喃-4-酮（15），其结构通过X射线分析证实。（13b）和（15）都具有单端孢菌烯的许多结构特征，并且可能在它们的总合成中具有价值。
• An Evolution of Drug Development and Clinical Pharmacology during the 20th Century
  作者：Gene Heath、Wayne A. Colburn

  DOI：10.1177/00912700022009657

  日期：2000.9

  The current state of clinical pharmacology and drug development did not just happen. Clinical pharmacology and the drug development process were born, evolved, and have come to the fore during the past 100 years. The past century has been one of accelerating progress in science and medicine. The progress has not been a straight line but rather more like a sidewinder moving across the desert. Drug development has moved from small experiments with concoctions, extracts, and potions along with the manufacturing and promotion of the purported remedies to processes that exploited unknowing patients to a process that now requires concept generation, discovery, research, planning, and development with many checks and balances for the protection of human subjects. The factors that contributed to this progression from inappropriate use of potions, concoctions, and snake oil to the highly regulated drug development process of today is described in some detail.

  临床药理学与药物开发的现状并非偶然形成。临床药理学和药物开发过程在过去100年间诞生、发展并逐渐占据重要地位。过去一个世纪，科学与医学的进步不断加速。这种进步并非直线前行，更像是在沙漠中蜿蜒前进的侧风行者。药物开发从早期的小规模实验，涉及调制品、提取物和药剂，以及制造和推广所谓的疗法，发展到利用不知情的患者进行实验，再到现在需要概念生成、发现、研究、规划和开发，并设立众多制衡机制以保护人类受试者的现代高度规范化的药物开发过程。本章将详细描述从早期不当使用药剂、调制品和江湖医术到今日高度规范化的药物开发过程的演进因素。
• Die Synthese von 2<i>H</i>-Thiopyranen aus β-Thioxoaldehyden
  作者：D. Greif、M. Pulst、M. Weißenfels

  DOI：10.1055/s-1987-33432

  日期：——

  The Synthesis of 2H-Thiopyranes from ß-Thioxoaldehydes [4+2]-Cycloaddition reactions between enaminothioketones and activated alkenes, which are described by Quiniou et al.,1-4 usually require relatively harsh reaction conditions, and produce the title compounds only in moderate yields. Much better results can be achieved by a new synthesis of 3-acyl-2H-thiopyranes starting with dicyclohexylammonium salts of monothio-ß-dicarbonyl compounds and unsaturated aldehydes or ketones. The mechanism of this new reaction is characterized by Michael addition followed by an aldol reaction.

  从 ß-Thioxoaldehydes 合成 2H-Thiopyranes [4+2]-Cycloaddition reactions between enaminothioketones and activated alkenes,which are described by Quiniou et al.以单硫代-ß-二羰基化合物的二环己基铵盐和不饱和醛或酮为起点，合成 3-acyl-2H-thiopyranes 的新方法可以获得更好的结果。这种新反应的机理是先发生迈克尔加成反应，然后发生醛醇反应。
• Electronic energy levels in a homologous series of unsubstituted linear polyenes
  作者：Kevin L. D'Amico、Christopher Manos、Ronald L. Christensen

  DOI：10.1021/ja00526a003

  日期：1980.3

  Abstract: Absorption, emission, and excitation spectra of 1,3,5,7-octatetraene, 1,3,5,7,9-decapentaene, and 1,3,5,7,9,1 l-dode- cahexaene have been obtained in room temperature solutions and 77 K glasses. All spectra exhibit the characteristic gap be- tween the origin of the strongly allowed absorption ('Ag - 'B,) and the origin of fluorescence ('Ag* - 'A!): Comparison with results previously obtained

  摘要：1,3,5,7-辛四烯、1,3,5,7,9-十碳烯和 1,3,5,7,9,1-l-十二碳六烯的吸收、发射和激发光谱具有在室温溶液和 77 K 玻璃中获得。所有光谱都表现出强烈允许吸收的起源 ('Ag - 'B,) 和荧光起源 ('Ag* - 'A!) 之间的特征差距：与先前获得的甲基取代多烯结果的比较显示'B,-'Ag* 能隙是取代度的敏感函数。溶剂效应研究已用于将未取代多烯的转变能外推到气相条件。对于四烯、戊烯和己烯，'Bu-IAg* 能量差分别为 6380、7050 和 7420 cm-I。这些结果根据多烯电子状态的当前理论描述进行了讨论。1. 引言 线性共轭 T 电子系统近年来受到了新的实验和理论兴趣。这种兴趣在很大程度上是由多烯电子态在几个重要的光生物过程中发挥的重要作用激发的。对于凝聚相中的长多烯（具有三个以上双键的），现在有大量证据表明存在低位的、低于 'B 的 'Ag*
• Porous Magnesium Oxide by Twin Polymerization: From Hybrid Materials to Catalysis
  作者：Sebastian Scharf、Sebastian Notz、Rico Thomas、Michael Mehring、Christoph Tegenkamp、Petr Formánek、René Hübner、Heinrich Lang

  DOI：10.1002/ejic.202200663

  日期：2023.3.17

  ]0.8 (2, L=diglyme) and [Mg(2-(OCH2)-OcC6H4)][L]0.66 (3, L=tmeda) and their twin polymerization alone or in presence of Cu and Ag carboxylates were investigated and their calcinated magnesium oxide materials tested in catalysis.

  双单体 [Mg(2-(OCH 2 )-O c C 6 H 4 )][L] 0.8 ( 2 , L=二甘醇二甲醚) 和 [Mg(2-(OCH 2 )-O c C 6 H 4 )]研究了[L] 0.66 ( 3 , L=tmeda) 和它们单独或在 Cu 和 Ag 羧酸盐存在下的双聚合，并在催化中测试了它们的煅烧氧化镁材料。