3-methyldecane-2,4-dione | 14848-98-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyldecane-2,4-dione
• 英文别名: 3-Methyl-decan-2,4-dion
• CAS: 14848-98-7
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: FOLFVBLBSPDQRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyldecane-2,4-dione 、 copper(II) acetate monohydrate 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  New Oxidation of β-Hydroxy α-Methyl Ketones:  A Convenient Synthesis of 3-Methylalkane-2,4-diones

  摘要：

  The synthesis of 3-methylalkane-2,4-diones, which are intense strawlike and fruit-flavored compounds, has been performed by the aldol condensation of n-alkanal (C2-C7) and methyl ethyl ketone to give 4-hydroxy-3-methyl-2-alkanones in 31-72% yield, followed by oxidation using sodium hypochlorite in the presence of 4-benzoyloxy-2,2,6,6-tetramethyl-piperidine-N-oxide in 60-86% yield.

  DOI：

  10.1021/op020029i
• 作为产物：
  描述：

  在 硫酸 作用下， 以 甲苯 为溶剂， 以4.6 g的产率得到3-methyldecane-2,4-dione
  参考文献：
  名称：

  New Oxidation of β-Hydroxy α-Methyl Ketones:  A Convenient Synthesis of 3-Methylalkane-2,4-diones

  摘要：

  The synthesis of 3-methylalkane-2,4-diones, which are intense strawlike and fruit-flavored compounds, has been performed by the aldol condensation of n-alkanal (C2-C7) and methyl ethyl ketone to give 4-hydroxy-3-methyl-2-alkanones in 31-72% yield, followed by oxidation using sodium hypochlorite in the presence of 4-benzoyloxy-2,2,6,6-tetramethyl-piperidine-N-oxide in 60-86% yield.

  DOI：

  10.1021/op020029i

文献信息

• 4-Benzylpiperidine derivatives, a process for preparing them and pharmaceutical compositions containing them
  申请人：FERRER INTERNACIONAL, S.A.

  公开号：EP0572952A1

  公开（公告）日：1993-12-08

  4-Benzylpiperidine derivatives of the formula: or a pharmaceutically accpetable acid addition salt thereof, wherein X is hydrogen or fluorine and R is hydrogen, or a group selected from p-fluorobenzoyl, alpha-hydroxy-p-fluorobenzyl, p-fluorophenoxy, bis(p-fluorophenyl)methyl and 8-azaspiro [4,5] decane-7,9-dione-8-yl-methyl with the proviso that X and R may not be simultaneously hydrogen and p-fluorobenzoyl respectively. Such compounds are useful as sigma-receptor ligands.

  式中的 4-苄基哌啶衍生物： 或其可药用的酸加成盐，其中 X 为氢或氟，R 为氢或选自对氟苯甲酰基、α-羟基-对氟苄基、对氟苯氧基、双（对氟苯基）甲基和 8-氮杂螺[4,5]癸烷-7,9-二酮-8-基-甲基的基团，但 X 和 R 不得分别同时为氢和对氟苯甲酰基。 此类化合物可用作σ受体配体。
• Telomers from Carbon Monoxide and Olefins
  作者：R. E. Foster、A. W. Larchar、R. D. Lipscomb、B. C. McKusick

  DOI：10.1021/ja01602a039

  日期：1956.11
• Kramers, Recueil des Travaux Chimiques des Pays-Bas, 1897, vol. 16, p. 119 Anm.
  作者：Kramers

  DOI：——

  日期：——
• New Oxidation of β-Hydroxy α-Methyl Ketones:  A Convenient Synthesis of 3-Methylalkane-2,4-diones
  作者：Yoshifumi Yuasa、Yasushi Kato

  DOI：10.1021/op020029i

  日期：2002.9.1

  The synthesis of 3-methylalkane-2,4-diones, which are intense strawlike and fruit-flavored compounds, has been performed by the aldol condensation of n-alkanal (C2-C7) and methyl ethyl ketone to give 4-hydroxy-3-methyl-2-alkanones in 31-72% yield, followed by oxidation using sodium hypochlorite in the presence of 4-benzoyloxy-2,2,6,6-tetramethyl-piperidine-N-oxide in 60-86% yield.