5-乙基庚-4-烯-3-酮 | 89354-07-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-乙基庚-4-烯-3-酮
• 英文名称: 5-ethyl-4-hepten-3-one
• 英文别名: 5-ethyl-hept-4-en-3-one；5-Aethyl-hept-4-en-3-on；5-Ethylhept-4-en-3-one
• CAS: 89354-07-4
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: XVKRTNZGYNJYQX-UHFFFAOYSA-N

物化性质

• 沸点：
  177-179 °C(Press: 740 Torr)
• 密度：
  0.862 g/cm3(Temp: 15.54 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  5-乙基庚-4-烯-3-酮 、 乙酰乙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 3.5.5-Triaethyl-cyclohexen-2-on-1
  参考文献：
  名称：

  Polaczkowa,W. et al., Roczniki Chemii, 1961, vol. 35, p. 109 - 116

  摘要：

  DOI：
• 作为产物：
  描述：

  二氧化三碳 、 三乙基铝 以 正己烷 为溶剂， 以90%的产率得到5-乙基庚-4-烯-3-酮
  参考文献：
  名称：

  Pandolfo, Luciano; Paiaro, Gastone; Vettori, Umberto, Gazzetta Chimica Italiana, 1989, vol. 119, # 1, p. 59 - 62

  摘要：

  DOI：

文献信息

• Direct Site-Specific and Highly Enantioselective γ-Functionalization of Linear α,β-Unsaturated Ketones: Bifunctional Catalytic Strategy
  作者：Dongxu Yang、Linqing Wang、Fengxia Han、Depeng Zhao、Bangzhi Zhang、Rui Wang

  DOI：10.1002/anie.201301146

  日期：2013.6.24

  α, β, γ: The title method employs a Mg/L catalyst, which is well suited for the selective γ deprotonation and activation of linear α,β‐unsaturated ketones for reaction with nitroalkenes. The reaction leads to a series of optically active cyclohexene ring systems bearing multiple functional groups, systems which are not easily accessible using other methodologies.

  α，β，γ：标题方法使用Mg / L催化剂，该催化剂非常适合于选择性γ去质子化和线性α，β-不饱和酮与硝基烯烃反应的活化。该反应导致一系列带有多个官能团的光学活性环己烯环系统，这些系统使用其他方法不易获得。
• Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them
  申请人：TEIJIN LIMITED

  公开号：EP0019475A2

  公开（公告）日：1980-11-26

  Novel 7-hydroxyprostaglandins E1, or stereoisomers thereof, or protected derivatives thereof, having the following formula: wherein R3 represents H, CH3 or C2H5, R9 represents H or CH3, R10 and R are identical or different, and each represents H, tetrahydropyranyl or t-butyldimethylsilyl. Also provided is a process for producing adjacently disubstituted ketones including the above novel compounds, which process comprises reacting an a, #-unsaturated carbonyl compound with a cuprous salt and an organolithium compound in an aprotic inert organic medium in the presence of trialkylphosphine, the amounts of said cuprous salt and said organolithium compound being substantially equimolar, and reacting the product with a protected acetal derivative of an organic carbonyl compound or an aldehyde in the presence of a Lewis acid if necessary followed by reacting the product with a proton donor.

  具有下式的新型 7-羟基前列腺素 E1 或其立体异构体或其保护衍生物： 其中 R3 代表 H、CH3 或 C2H5，R9 代表 H 或 CH3，R10 和 R 相同或不同，且各自代表 H、四氢吡喃基或叔丁基二甲基硅基。 还提供了一种生产包括上述新型化合物在内的邻接二取代酮的工艺，该工艺包括在三 烷基膦存在下，在氩惰性有机介质中使 a，#-不饱和羰基化合物与亚铜盐和有机锂化合物 反应、所述亚铜盐和所述有机锂化合物的量基本等摩尔，必要时在路易斯酸存在下，使产物与有机羰基化合物或醛的受保护缩醛衍生物反应，然后使产物与质子供体反应。
• Polyalkylhydroxychromene and process for preparing the same
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0021827A1

  公开（公告）日：1981-01-07

  A compound of the formula (1) wherein R1 and R5 each represents an alkyl group having 1 to3 3 carbon atoms; R2, R3 and R4 each represents a hydrogen atom or an alkyl group having 1 to 3 carbon atoms and wherein the bonding at the 2-3 position is a single bond and that at the 3-4 position is a double when the substitution of hydroxy group is at the 5-position or the bonding at the 2-3 position is a double bond and that at the 3-4 position is a single bond when the substitution of hydroxy group is at the 7-position:; with the proviso that R2 and R4 should not be a hydrogen atom or an alkyl group simultaneously. Such a compound can be prepared by reacting resorcinol with an aliphatic ketone or a tertiary alcohol or by thermally decomposing polyalkyl (2, 4 - dihydroxyphenyl) hydroxychroman. The compound is useful as a herbicide and fungicide and as an intermediate for preparing agricultural chemicals.

  式（1）的化合物 其中 R1 和 R5 各代表一个具有 1 至 3 个碳原子的烷基；R2、R3 和 R4 各代表一个氢原子或一个具有 1 至 3 个碳原子的烷基；当羟基的取代位于 5 位时，2-3 位的键合是单键，3-4 位的键合是双键；当羟基的取代位于 7 位时，2-3 位的键合是双键，3-4 位的键合是单键：但 R2 和 R4 不能同时为氢原子或烷基。这种化合物可以通过间苯二酚与脂肪族酮或叔醇反应，或通过热分解多烷基（2，4-二羟基苯基）羟基苯并吡喃来制备。该化合物可用作除草剂和杀真菌剂，以及制备农药的中间体。
• Evidence of the natural production of trichloroethylene (Reply to the comment by Marshall et al.)
  作者：Katarina Abrahamsson、Marianne Pedersén

  DOI：10.4319/lo.2000.45.2.0520

  日期：2000.3
• PANDOLFO, LUCIANO;PAIARO, GASTONE;VETTORI, UMBERTO, GAZZ. CHIM. ITAL., 119,(1989) N, C. 59-61
  作者：PANDOLFO, LUCIANO、PAIARO, GASTONE、VETTORI, UMBERTO

  DOI：——

  日期：——