(E)-4-(5-(chloromethyl)furan-2-yl)but-3-en-2-one | 1264167-17-0

• 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: (E)-4-(5-(chloromethyl)furan-2-yl)but-3-en-2-one
• 英文别名: (E)-4-[5-(chloromethyl)furan-2-yl]but-3-en-2-one
• CAS: 1264167-17-0
• 化学式: C₉H₉ClO₂
• 分子量: 184.622
• InChiKey: YVZCNSBCXJGCKB-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-氯甲基呋喃-2-甲醛 、 丙酮 以 水 为溶剂， 反应 20.0h， 生成 (E)-4-(5-(chloromethyl)furan-2-yl)but-3-en-2-one
  参考文献：
  名称：

  [EN] METHOD OF CARBON CHAIN EXTENSION USING NOVEL ALDOL REACTION
  [FR] PROCÉDÉ D'ALLONGEMENT D'UNE CHAÎNE CARBONÉE UTILISANT UNE NOUVELLE RÉACTION D'ALDOLISATION

  摘要：

  生产C8-C15烃的方法，包括提供酮起始物质；提供含氯甲基糠醛的羟醛起始物质；在含有选择自Zn(Pro)2、Yb(Pro)3或其组合的脯氨酸催化剂或具有结构(I)、(II)或(III)中的一种的催化剂的存在下，在反应中混合酮起始物质和羟醛起始物质，其中(I)、(II)和(III)分别为：式(I)，其中R1是C1-C6烷基基团，X=(OH)，n=2。式(II)和(III)。在(III)中，X可以是CH2、硫或硒，M可以是Zn、Mg或镧系金属，R1和R2各自可以是甲基、乙基、苯基基团。

  公开号：

  WO2011022041A1

文献信息

• METHOD OF CARBON CHAIN EXTENSION USING NOVEL ALDOL REACTION
  申请人：Silks Louis A.

  公开号：US20110040109A1

  公开（公告）日：2011-02-17

  Method of producing C 8 -C 15 hydrocarbons. comprising providing a ketone starting material; providing an aldol starting material comprising chloromethylfurfural; mixing the ketone starting material and the aldol starting material in a reaction in the presence of a proline-containing catalyst selected from the group consisting of Zn(Pro) 2 , Yb(Pro) 3 , and combinations thereof, or a catalyst having one of the structures (I), (II) or (III), and in the presence of a solvent, wherein the solvent comprises water and is substantially free of organic solvents, where (I), (II) and (III) respectively are where R 1 is a C 1 -C 6 alkyl moiety, X=(OH) and n=2. In (III), X may be CH 2 , sulfur or selenium, M may be Zn, Mg, or a lanthanide, and R 1 and R 2 each independently may be a methyl, ethyl, phenyl moiety.
• Method Of Carbon Chain Extension Using Novel Aldol Reaction
  申请人：Silks Louis A.

  公开号：US20120289720A1

  公开（公告）日：2012-11-15

  Method of producing C 8 -C 15 hydrocarbons. comprising providing a ketone starting material; providing an aldol starting material comprising chloromethylfurfural; mixing the ketone starting material and the aldol starting material in a reaction in the presence of a proline-containing catalyst selected from the group consisting of Zn(Pro) 2 , Yb(Pro) 3 , and combinations thereof, or a catalyst having one of the structures (I), (II) or (III), and in the presence of a solvent, wherein the solvent comprises water and is substantially free of organic solvents, where (I), (II) and (III) respectively are: where R 1 is a C 1 -C 6 alkyl moiety, X═(OH) and n=2. In (III), X may be CH 2 , sulfur or selenium, M may be Zn, Mg, or a lanthanide, and R 1 and R 2 each independently may be a methyl, ethyl, phenyl moiety.
• US8497386B2
  申请人：——

  公开号：US8497386B2

  公开（公告）日：2013-07-30