ethyl 6-oxohept-2-enoate | 120113-89-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 6-oxohept-2-enoate
• 英文别名: ethyl (E)-6-oxohept-2-enoate
• CAS: 120113-89-5
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: QRMVLKSYNCXYKV-FNORWQNLSA-N

物化性质

• 沸点：
  105-108 °C(Press: 3 Torr)
• 密度：
  0.993±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 6-oxohept-2-enoate 在 叔丁基锂 、 silica gel 作用下， 以 四氢呋喃 、 正戊烷 、 苯 为溶剂， 生成 ethyl (2,3-dimethyl-2-cyclopentenyl)acetate
  参考文献：
  名称：

  The First Tandem [2 + 2] Cycloaddition−Michael Reaction Using Ynolates:  Facile Construction of Substituted Carbocycles

  摘要：

  [GRAPHICS]A tandem [2 + 2] cycloaddition-Michael reaction using ynolate anions followed by decarboxylation produced polysubstituted five-, six-, and seven-membered cycloalkenes.

  DOI：

  10.1021/ol0159928
• 作为产物：
  描述：

  3-(2-methyl-[1,3]dioxolan-2-yl)-propan-1-ol 在 lithium hydroxide 、 重铬酸吡啶 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 生成 ethyl 6-oxohept-2-enoate
  参考文献：
  名称：

  The First Tandem [2 + 2] Cycloaddition−Michael Reaction Using Ynolates:  Facile Construction of Substituted Carbocycles

  摘要：

  [GRAPHICS]A tandem [2 + 2] cycloaddition-Michael reaction using ynolate anions followed by decarboxylation produced polysubstituted five-, six-, and seven-membered cycloalkenes.

  DOI：

  10.1021/ol0159928

文献信息

• Rh(I)-catalyzed conjugate addition of alkenylzirconocene chloride: stereoselective formation of carbocycles through cascade reaction
  作者：Yuji Hanzawa、Yoshitaka Takebe、Akio Saito、Akito Kakuuchi、Haruhiko Fukaya

  DOI：10.1016/j.tetlet.2007.07.056

  日期：2007.9

  Stereoselective formation of carbocycles was carried out through [RhCl(cod)]2-catalyzed reactions of alkenylzirconocene chloride to ω-carbonyl-α,β-ene carbonyls (ketone, ester, and amide) or to bis-enone derivatives. The Rh(I)-catalyzed reaction of alkenylzirconocene chloride with ω-carbonyl-α,β-enoyl amide, which is derived from Oppolzer’s sultam, showed high diastereoselectivity to yield an carbocycle (95%

  通过[RhCl（cod）] 2催化的烯基锆茂氯化物与ω-羰基-α，β-烯羰基（酮，酯和酰胺）或双烯酮衍生物的立体选择形成碳环。Oppolzer's sultam衍生的链烯基锆茂金属氯化物与ω-羰基-α，β-烯丙基酰胺的Rh（I）催化反应显示出高非对映选择性，可产生碳环（95％收率，> 95％de）。
• 1,4-Dihydropyridines with paf-antagonistic activity
  申请人：ALTER, S.A.

  公开号：EP0531598A1

  公开（公告）日：1993-03-17

  4-alkyl-1,4-dihydropyridines with activity antagonistic of the PAF-"aceter" of formula (I) are described, in which R is a saturated alkyl chain C1-2; R' is a saturated or unsaturated C1-16 lineal, branched or cyclic chain that can be interrupted by an oxygen atom and can also represent a 2-(N-morpholine) ethyl group; n is 2 or 3; X is oxygen, sulphur or SO2; Ar represents an aromatic ring that cannot be phenyl when X=S and n=2. The compounds (I) can be prepared (a) by reaction of (II) with (III) and with (IV); or (b) by reacting (V) with (VI) and (IV); or (c) by reaction of (VII) with (VI). In these formulas the different radicals have the meaning given above. Compounds of formula (I) are used for the treatment of pathologic states and disorders in which the PAF-"aceter" participates, being used, for example, in treatment of inflammatory processes, psoriasis, glomerulitis, transplant rejection, acute and chronic bronchitis, bronchial asthma, states of shock and allergies Likewise it is used for the treatment of pathologic states and disorders in which it is necessary to stimulate the cellular immunity such as in immunodeficient syndromes and other situations in which the defense capacity is reduced.

  描述了具有拮抗 PAF-"aceter "活性的式(I)的 4-烷基-1,4-二氢吡啶类化合物，其中 R 是饱和烷基链 C1-2；R'是饱和或不饱和 C1-16 直链、支链或环链，可被氧原子打断，也可代表 2-(N-吗啉)乙基；n 是 2 或 3；X 是氧、硫或 SO2；Ar 代表芳香环，当 X=S 和 n=2 时不能是苯基。化合物(I)可以(a)通过(II)与(III)和(IV)反应制备；或(b)通过(V)与(VI)和(IV)反应制备；或(c)通过(VII)与(VI)反应制备。在这些式子中，不同基团的含义如上。 式（I）化合物可用于治疗 PAF-"aceter "参与的病理状态和疾病，例如用于治疗炎症过程、银屑病、肾小球炎、移植排斥反应、急慢性支气管炎、支气管哮喘、休克状态和过敏。
• US5298619A
  申请人：——

  公开号：US5298619A

  公开（公告）日：1994-03-29