allyl 3-methyl-2-oxocyclohexanonecarboxylate | 75265-74-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: allyl 3-methyl-2-oxocyclohexanonecarboxylate
• 英文别名: Prop-2-enyl 3-methyl-2-oxocyclohexane-1-carboxylate
• CAS: 75265-74-6
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: VWMRPZQOUDTMQD-UHFFFAOYSA-N

物化性质

• 沸点：
  286.8±33.0 °C(Predicted)
• 密度：
  1.040±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  allyl 3-methyl-2-oxocyclohexanonecarboxylate 在 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以94%的产率得到2-allyl-6-methylcyclohexanone
  参考文献：
  名称：

  Facile generation of a reactive palladium(II) enolate intermediate by the decarboxylation of palladium(II) .beta.-ketocarboxylate and its utilization in allylic acylation

  摘要：

  DOI：

  10.1021/ja00540a053

文献信息

• Preparation of thermodynamically stable enol silyl ethers of γ,δ-unsaturated ketones by palladium-catalyzed decarboxylation-allylation of allyl 2,3-disubstituted 3-trimethylsiloxyacrylates
  作者：Jiro Tsuji、Yukihiro Ohashi、Ichiro Minami

  DOI：10.1016/s0040-4039(00)96134-3

  日期：——

  Allyl 2,3-disubstituted 3-trimethylsiloxyacrylates underwent palladium-catalyzed intramolecular decarboxylation-allylation to afford enol silyl ethers of γ,δ-unsaturated ketones

  2,3-二取代的3-三甲基甲硅烷氧基丙烯酸烯丙酯经钯催化的分子内脱羧-烯丙基化反应，制得γ，δ-不饱和酮的烯醇甲硅烷基醚
• Synthesis of α-fluoroketones based on palladium-catalyzed Decar☐ylation reactions of allyl β-keto car☐ylates
  作者：Isao Shimizu、Hirotoshi Ishii

  DOI：10.1016/s0040-4020(01)80770-5

  日期：1994.1

  Fluorination of allyl beta-keto carboxylates using N-fluoro-2,4,6-pyridinium triflate gave allyl a-fluoro-a-keto carboxylates. Reaction of allyl alpha-fluoro-beta-keto carboxylates with formic acid in the presence of palladium-phosphine catalyst gave alpha-fluoro ketones. When the palladium-catalyzed reaction was carried out without formic acid, the decarboxylation-allylation took place to give alpha-fluoro-allylketones. Decarboxylation-dehydrogenation to afford alpha-fluoro-alpha,beta-unsaturated ketones was carried out with palladium catalysts in acetonitrile.
• TSUDA TETSUO; CHUJO YOSHIKI; NISHI SEI-ICHI; TAWARA KUNIO; SAEGUSA TAKEO, J. AMER. CHEM. SOC., 1980, 102, NO 20, 6381-6384
  作者：TSUDA TETSUO、 CHUJO YOSHIKI、 NISHI SEI-ICHI、 TAWARA KUNIO、 SAEGUSA TAKEO

  DOI：——

  日期：——
• TSUJI JIRO; YAMADA TOSHIRO; MINAMI ICHIRO; YUHARA MASAMI; NISAR MOHAMMAD;+, J. ORG. CHEM., 52,(1987) N 14, 2988-2995
  作者：TSUJI JIRO、 YAMADA TOSHIRO、 MINAMI ICHIRO、 YUHARA MASAMI、 NISAR MOHAMMAD、+

  DOI：——

  日期：——
• TSUJI, JIRO;OHASHI, YUKIHIRO;MINAMI, ICHIRO, TETRAHEDRON LETT., 28,(1987) N 21, 2397-2398
  作者：TSUJI, JIRO、OHASHI, YUKIHIRO、MINAMI, ICHIRO

  DOI：——

  日期：——