3-methyl-4-pentylfuran | 42908-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-methyl-4-pentylfuran
• 英文别名: 2-pentyl-3-methylfuran；Furan, methylpentyl-；3-methyl-2-pentylfuran
• CAS: 42908-62-3
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: HFJLXTKFXUKXNP-UHFFFAOYSA-N

物化性质

• 沸点：
  194.3±9.0 °C(Predicted)
• 密度：
  0.891±0.06 g/cm3(Predicted)
• LogP：
  4.165 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  正己醛 在 盐酸 、 叔丁基锂 、 氯化二乙基铝 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 1.0h， 生成 3-methyl-4-pentylfuran
  参考文献：
  名称：

  A SIMPLE ROUTE TO FURANS BY ORGANOALUMINUM REAGENTS

  摘要：

  2,3-二取代呋喃是通过醛与丙炔醚衍生的烯丙基铝试剂反应合成的。

  DOI：

  10.1246/cl.1982.1029

文献信息

• A General and Facile Synthesis of Substituted Furans by Palladium-Catalyzed Cycloisomerization of (<i>Z</i>)-2-En-4-yn-1-ols
  作者：Bartolo Gabriele、Giuseppe Salerno、Egidio Lauria

  DOI：10.1021/jo990847h

  日期：1999.10.1

  A general and facile synthesis of furans, based on Pd(II)-catalyzed cycloisomerization of (Z)-2-en-4-yn-1-ols, is described. Cycloisomerization reactions are carried out at 25-100 degrees C in the presence of a very simple catalytic system, consisting of K2PdI4, under essentially neutral conditions. This new methodology is very versatile and can be applied to the synthesis of a variety of substituted furans, including particularly fragile, naturally occurring furans such as rosefuran. Efficient synthetic approaches for the regioselective synthesis of suitably substituted (Z)-2-en-4-yn-1-ols have been developed.
• WO2007/131834
  申请人：——

  公开号：——

  公开（公告）日：——
• An Efficient and General Synthesis of Furan-2-acetic Esters by Palladium-Catalyzed Oxidative Carbonylation of (<i>Z</i>)-2-En-4-yn-1-ols
  作者：Bartolo Gabriele、Giuseppe Salerno、Francesca De Pascali、Mirco Costa、Gian Paolo Chiusoli

  DOI：10.1021/jo990848+

  日期：1999.10.1

  A variety of (Z)-2-en-4-yn-1-ols have been carbonylated under oxidative conditions to give substituted furan-a-acetic esters in good yields. The cyclization-alkoxycarbonylation process occurs in alcoholic media at 50-70 degrees C and under 100 atm pressure of a 9:1 mixture of carbon monoxide and air in the presence of catalytic amounts of PdI2 in conjunction with KI. The proposed reaction pathway involves the in situ isomerization of the initially formed (E)-2-[(alkoxycarbonyl)methylene]-2,5-dihydrofuran species, which in some cases have been isolated and shown to be the intermediates.
• TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES
  申请人：Symrise GmbH & Co. KG

  公开号：EP2027101A1

  公开（公告）日：2009-02-25
• JPH04342581A
  申请人：——

  公开号：JPH04342581A

  公开（公告）日：1992-11-30