aconyl chloride | 64124-99-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: aconyl chloride
• 英文别名: 5-oxo-2,5-dihydro-furan-3-carbonyl chloride；5-Oxo-2,5-dihydro-furan-3-carbonylchlorid；5-Oxo-2,5-dihydrofuran-3-carbonyl chloride；5-oxo-2H-furan-3-carbonyl chloride
• CAS: 64124-99-8
• 化学式: C₅H₃ClO₃
• 分子量: 146.53
• InChiKey: MJCYPRKNBMEPDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  aconyl chloride 、 1,3-丁二烯 以 苯 为溶剂， 反应 8.0h， 生成 (3aR,7aR)-1-Oxo-1,4,7,7a-tetrahydro-isobenzofuran-3a-carbonyl chloride
  参考文献：
  名称：

  Synthesis of functionalized bicyclo[3.2.1]octan-6-ones for diterpenoids: allylsilane directed Pummerer reaction: insertion reactions of diazoketones

  摘要：

  The sulfide 5 underwent Pummerer cyclization to give 6, whereas the allyl silane analog 10 produced the bicyclo[3.2.1]octanones 11 and 11a. Extension of this methodology to 15 resulted in 16 without the necessity for allyl silane activation. The intermediate diazoketone 14 on treatment with BF3.OEt2 gave 17, 18 and 19, whereas the saturated adduct 22 on treatment with Rh-2(OAC)(4) gave 23. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00336-8
• 作为产物：
  描述：

  5-氧代-4,5-二氢-3-呋喃羧酸 在 氯化亚砜 作用下， 生成 aconyl chloride
  参考文献：
  名称：

  Funke; Dubendorfer, Bulletin de la Societe Chimique de France, 1950, p. 346

  摘要：

  DOI：

文献信息

• Synthesis of functionalized bicyclo[3.2.1]octan-6-ones for diterpenoids: allylsilane directed Pummerer reaction: insertion reactions of diazoketones
  作者：Philip Magnus、Trevor Rainey、Vince Lynch

  DOI：10.1016/s0040-4039(03)00336-8

  日期：2003.3

  The sulfide 5 underwent Pummerer cyclization to give 6, whereas the allyl silane analog 10 produced the bicyclo[3.2.1]octanones 11 and 11a. Extension of this methodology to 15 resulted in 16 without the necessity for allyl silane activation. The intermediate diazoketone 14 on treatment with BF3.OEt2 gave 17, 18 and 19, whereas the saturated adduct 22 on treatment with Rh-2(OAC)(4) gave 23. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Funke; Dubendorfer, Bulletin de la Societe Chimique de France, 1950, p. 346
  作者：Funke、Dubendorfer

  DOI：——

  日期：——