1-benzyl 4-ethyl 2-acetyl-2-methylbutanedioate | 1336839-16-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-benzyl 4-ethyl 2-acetyl-2-methylbutanedioate
• 英文别名: 1-O-benzyl 4-O-ethyl 2-acetyl-2-methylbutanedioate
• CAS: 1336839-16-7
• 化学式: C₁₆H₂₀O₅
• 分子量: 292.332
• InChiKey: NHZGLALMPWTEBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-benzyl 4-ethyl 2-acetyl-2-methylbutanedioate 在 4-二甲氨基吡啶 、 ammonium acetate 、 sodium cyanoborohydride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 三氟乙酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 31.75h， 生成 benzyl (2RS,3RS)-2,3-dimethyl-4-methylidene-5-oxopyrrolidine-3-carboxylate
  参考文献：
  名称：

  A Convenient Synthesis of Functionalized α-Methylidenebutano-4-lactams

  摘要：

  AbstractA concise synthetic approach to functionalized α‐methylidenebutanolactams has been developed. The synthetic strategy is based on the preliminary assembly of the lactam template equipped with appropriate functionalities. Subsequent installation of the methylidene by a metalation/alkylation/elimination sequence completed the elaboration of the racemic title compounds.

  DOI：

  10.1002/hlca.201100070
• 作为产物：
  描述：

  ethyl 3-(benzylcarboxy)levulinate 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 1-benzyl 4-ethyl 2-acetyl-2-methylbutanedioate
  参考文献：
  名称：

  A Convenient Synthesis of Functionalized α-Methylidenebutano-4-lactams

  摘要：

  AbstractA concise synthetic approach to functionalized α‐methylidenebutanolactams has been developed. The synthetic strategy is based on the preliminary assembly of the lactam template equipped with appropriate functionalities. Subsequent installation of the methylidene by a metalation/alkylation/elimination sequence completed the elaboration of the racemic title compounds.

  DOI：

  10.1002/hlca.201100070

文献信息

• A Convenient Synthesis of Functionalized α-Methylidenebutano-4-lactams
  作者：Gwenaëlle Liberge、Stéphane Lebrun、Axel Couture、Pierre Grandclaudon

  DOI：10.1002/hlca.201100070

  日期：2011.9

  AbstractA concise synthetic approach to functionalized α‐methylidenebutanolactams has been developed. The synthetic strategy is based on the preliminary assembly of the lactam template equipped with appropriate functionalities. Subsequent installation of the methylidene by a metalation/alkylation/elimination sequence completed the elaboration of the racemic title compounds.