2-Methyl-2-(1-methylene-pentyl)-malonic acid diethyl ester | 54222-49-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Methyl-2-(1-methylene-pentyl)-malonic acid diethyl ester
• 英文别名: Diethyl 2-hex-1-en-2-yl-2-methylpropanedioate；diethyl 2-hex-1-en-2-yl-2-methylpropanedioate
• CAS: 54222-49-0
• 化学式: C₁₄H₂₄O₄
• 分子量: 256.342
• InChiKey: YFEUZBWOHPQDMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-2-甲基丙二酸二乙酯 、 1-己炔 生成 2-Methyl-2-(1-methylene-pentyl)-malonic acid diethyl ester
  参考文献：
  名称：

  Reaction d'addition du zincique derivant du methyl-bromo-malonate d'ethyle sur les composes propargyliques.

  摘要：

  DOI：

  10.1016/s0040-4039(01)82600-9

文献信息

• An Efficient Protocol of Iridium-Catalyzed Allylic Substitution Reaction and Its Application to Polymer Synthesis:  Complementary Regio- and Stereoselective Allylation Polycondensation via Ir and Pd Catalyses
  作者：Nobuyoshi Nomura、Susumu Komiyama、Hiroyuki Kasugai、Marie Saba

  DOI：10.1021/ja076019k

  日期：2008.1.1

  An efficient protocol of the Ir-catalyzed allylic substitution reaction is reported using N,O-bis (bimethylsilyl]acetamide as a base in the presence of nBu(4)NF as a cocatalyst. The reaction completely proceeded under very mild conditions, and a branched allylated compound that is easy to access via the Tsuji-Trost reaction can be synthesized. The reaction system is practical enough to be applicable for polymer syntheses. The Ir- and Pd-catalyzed allylation polycondensations generally show complementary regio- and stereoselectivities. The Ir-catalyzed reaction is versatile, and a mixed dual regioselectivity such as a branched-linear selectivity on each electrophile can also be achieved.
• [EN] PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION<br/>[FR] PREPARATION DE PRECURSEURS DE BETA-AMINOACIDE PAR ADDITION DE MARKOVNIKOV ET CONDENSATION DE KNOEVENAGEL A MEDIATION ASSUREE PAR DE L'INDIUM (III)
  申请人：WARNER LAMBERT CO

  公开号：WO2006100606A2

  公开（公告）日：2006-09-28

  (EN) Disclosed are materials and methods for preparing precursors of optically active &bgr;-amino acids, which bind to the alpha-2-delta (&agr;2&dgr;) subunit of a calcium channel and are useful for treating pain, fibromyalgia, and a variety of psychiatric and sleep disorders. The method includes reacting a malonate derivative with a terminal alkyne in the presence of an In(III) catalyst.(FR) L'invention concerne des matériaux et des procédés pour la préparation de précurseurs de ß-aminoacides optiquement actifs, qui se lient à la sous-unité alpha-2-delta (a2d) d'un canal calcique et qui sont utiles pour le traitement de la douleur, de la fibromyalgie, et de divers troubles psychiatriques ou du sommeil. Le procédé de l'invention consiste à faire réagir un dérivé de malonate avec un alcyne terminal en présence d'un catalyseur In(III).
• Reaction d'addition du zincique derivant du methyl-bromo-malonate d'ethyle sur les composes propargyliques.
  作者：M.T. Bertrand、G. Courtois、L. Miginiac

  DOI：10.1016/s0040-4039(01)82600-9

  日期：1974.1