3-(4-acetyl-3-methyl-1,3-cyclopentadienyl)propanoic acid | 157641-04-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-acetyl-3-methyl-1,3-cyclopentadienyl)propanoic acid
• 英文别名: 3-(4-Acetyl-3-methyl-1,3-cyclopentadien-1-yl)propanoic acid；3-(4-acetyl-3-methylcyclopenta-1,3-dien-1-yl)propanoic acid
• CAS: 157641-04-8
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: KEYKMXXWDLFTKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 3-(4-acetyl-3-methyl-1,3-cyclopentadienyl)propanoic acid 以 乙醚 为溶剂， 反应 8.0h， 以322 mg的产率得到methyl 3-(4-acetyl-3-methyl-1,3-cyclopentadienyl)propanoate
  参考文献：
  名称：

  Synthesis of 5,5-disubstituted 2(3H)-dihydrofuranones containing side-chain carbonyl functions, and some derivatives.

  摘要：

  Several title compounds containing aldehyde, ketone or unsaturated ester functions in side-chains at C-5 position have been synthesized for the first time. The ability of some of these compounds as precursors in the preparation of polyfunctional cyclopentadiene or spiro[4.4]nonane derivatives has shown to be feasible.

  DOI：

  10.1016/s0040-4020(01)85296-0
• 作为产物：
  描述：

  7,8-Dimethyl-1-oxaspiro<4.5>dec-7-en-2-one 在 二甲基硫 、 sodium hydride 、 臭氧 作用下， 以 四氢呋喃 为溶剂， 反应 5.75h， 生成 3-(4-acetyl-3-methyl-1,3-cyclopentadienyl)propanoic acid
  参考文献：
  名称：

  Synthesis of 5,5-disubstituted 2(3H)-dihydrofuranones containing side-chain carbonyl functions, and some derivatives.

  摘要：

  Several title compounds containing aldehyde, ketone or unsaturated ester functions in side-chains at C-5 position have been synthesized for the first time. The ability of some of these compounds as precursors in the preparation of polyfunctional cyclopentadiene or spiro[4.4]nonane derivatives has shown to be feasible.

  DOI：

  10.1016/s0040-4020(01)85296-0

文献信息

• Synthesis of 5,5-disubstituted 2(3H)-dihydrofuranones containing side-chain carbonyl functions, and some derivatives.
  作者：Joan Bassa、Marta Planas、Cristóbal Segura、Montserrat Ventura、Rosa M. Ortuño

  DOI：10.1016/s0040-4020(01)85296-0

  日期：1994.1

  Several title compounds containing aldehyde, ketone or unsaturated ester functions in side-chains at C-5 position have been synthesized for the first time. The ability of some of these compounds as precursors in the preparation of polyfunctional cyclopentadiene or spiro[4.4]nonane derivatives has shown to be feasible.