3-(3-oxopropyl)-2-cyclohexenone | 116905-60-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-oxopropyl)-2-cyclohexenone
• 英文别名: 3-(3-oxocyclohex-1-enyl)propanal；3-Oxo-1-cyclohexene propanal；3-(3-oxocyclohexen-1-yl)propanal
• CAS: 116905-60-3
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: AOQWHHBZWLWDGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲基锂 、 3-(3-oxopropyl)-2-cyclohexenone 以 四氢呋喃 、 乙醚 为溶剂， 以100%的产率得到3-(3-Hydroxy-butyl)-1-methyl-cyclohex-2-enol
  参考文献：
  名称：

  Amberlyst-15-catalyzed intramolecular SN2′ oxaspirocyclization of tertiary allylic alcohols

  摘要：

  A variety of substituted 1-oxaspiro[4,5]dec-6-ene and 1-oxaspiro[5,5]undec-7-ene systems have been prepared by utilizing Amberlyst-15-catalyzed S(N)2' oxaspirocyclizations under mild reaction conditions (-20 degrees C) in quantitative yields. In this process, a tertiary allylic alcohol serves as the precursor of pi-allylic carbocation and the primary, secondary or tertiary alcohol within the same molecule serves as the nucleophile, (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00390-7
• 作为产物：
  描述：

  3-(3-hydroxypropyl)-2-cyclohexenone 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 生成 3-(3-oxopropyl)-2-cyclohexenone
  参考文献：
  名称：

  Amberlyst-15-catalyzed intramolecular SN2′ oxaspirocyclization of tertiary allylic alcohols

  摘要：

  A variety of substituted 1-oxaspiro[4,5]dec-6-ene and 1-oxaspiro[5,5]undec-7-ene systems have been prepared by utilizing Amberlyst-15-catalyzed S(N)2' oxaspirocyclizations under mild reaction conditions (-20 degrees C) in quantitative yields. In this process, a tertiary allylic alcohol serves as the precursor of pi-allylic carbocation and the primary, secondary or tertiary alcohol within the same molecule serves as the nucleophile, (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00390-7

文献信息

• Synthesis of Spiranes by Thiol-Mediated Acyl Radical Cyclization
  作者：Day-Shin Hsu、Chih-Hao Chen、Chi-Wei Hsu

  DOI：10.1002/ejoc.201501305

  日期：2016.1

  A general and efficient method for the preparation of spiro compounds is described. Various enone-aldehydes were exposed to t-dodecanethiol and AIBN at 75 °C in toluene to afford spirocyclic 1,4-diketones in moderate to good yields.

  描述了制备螺环化合物的通用且有效的方法。将各种烯酮醛暴露于 75°C 的甲苯中的叔十二烷硫醇和 AIBN，以中等至良好的产率提供螺环 1,4-二酮。
• 1-Benzyl-2,6-dicyanopiperidines as a New Class of Annelating Reagents. Use for Preparation of Fused Polycyclic Compounds
  作者：Kazumasa Takahashi、Mikio Asakawa、Katsuyuki Ogura

  DOI：10.1246/cl.1988.1109

  日期：1988.7.5

  The utility of 1-benzyl-2,6-dialkyl-2,6-dicyanopiperidines as an annelating reagent, i.e. latent 1,5-diketones, is demonstrated in synthesis of multi-fused compounds.

  1-苄基-2,6-二烷基-2,6-二氰基哌啶作为退火试剂的效用，即潜在的1,5-二酮，在多稠合化合物的合成中得到证明。
• Spiranes synthesis based on samarium diiodide-mediated reductive cyclization
  作者：Day-Shin Hsu、Chi-Wei Hsu

  DOI：10.1016/j.tetlet.2012.02.068

  日期：2012.4

  A general and efficient method for the preparation of spiro compounds is described. Enone–aldehydes were exposed to samarium diiodide under mild conditions and various spirocyclic γ-hydroxyketones were obtained in good yields.

  描述了制备螺环化合物的通用且有效的方法。在温和的条件下将烯醛暴露于二碘化and中，并以高收率获得了各种螺环γ-羟基酮。
• Pharmaceutically active amines
  申请人：Upjohn

  公开号：US05120843A1

  公开（公告）日：1992-06-09

  The aromatic amines (I), alkyl amines (II), bicyclic amines (III). ##STR1## cycloalkyl amines (IV), aromatic bicyclic amines (V), hydroquinone amines (VI), quinone amines (VII), amino-ethers (VIII) and bicyclic amino ethers (IX) are useful as pharmaceutical agents for treating a number of conditions including spinal trauma, mild and/or moderate to severe head injury, etc. Also disclosed is a method of treatment using the 3,4-dihydrobenzopyrans (XI).

  芳香族胺(I)，烷基胺(II)，双环胺(III)。##STR1##环烷基胺(IV)，芳香族双环胺(V)，对苯二酚胺(VI)，醌胺(VII)，氨基醚(VIII)和双环氨基醚(IX)可用作治疗多种疾病的药物，包括脊髓损伤，轻度和/或中度至重度头部损伤等。还公开了使用3,4-二氢苯并吡喃(XI)进行治疗的方法。
• TAKAHASHI, KAZUMASA;ASAKAWA, MIKIO;OGURA, KATSUYUKI, CHEM. LETT.,(1988) N 7, 1109-1112
  作者：TAKAHASHI, KAZUMASA、ASAKAWA, MIKIO、OGURA, KATSUYUKI

  DOI：——

  日期：——