methyl 2,4-dimethyl-2,3-butadienoate | 57585-04-3

• 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: methyl 2,4-dimethyl-2,3-butadienoate
• 英文别名: methyl 2-methyl penta-2,3-dienoate；methyl 2-methylpenta-2,3-dienoate；2-methyl-penta-2,3-dienoic acid methyl ester；(RS)-2-Methyl-penta-2,3-diensaeure-methylester；(S)-2-Methyl-penta-2,3-diensaeure-methylester；1,3-Dimethyl-allencarbonsaeuremethylester
• CAS: 57585-04-3
• 化学式: C₇H₁₀O₂
• 分子量: 126.155
• InChiKey: LTCKYNDMXVYVHB-UHFFFAOYSA-N

物化性质

• 沸点：
  67-69 °C(Press: 10 Torr)
• 密度：
  0.903±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 2,4-dimethyl-2,3-butadienoate 反应 12.0h， 生成 (2S,3S,5S)-1,3,5-Trimethyl-4-oxo-2-phenyl-pyrrolidine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  A study of the 5-exo methylene-isoxazolidine to 3-pyrrolidinone rearrangement

  摘要：

  DOI：

  10.1016/s0040-4039(01)80981-3
• 作为产物：
  描述：

  ethyl 2-methylpenta-2,3-dienoate 以 乙醚 为溶剂， 生成 methyl 2,4-dimethyl-2,3-butadienoate
  参考文献：
  名称：

  1 H-NMR.-spektroskopische最佳对映体对映体AllAllencarbonsäureesternmit optisch aktiven p-Verschiebungsreagenzien †

  摘要：

  1 H-NMR。使用光学活性Euro移位试剂的光谱测定烯丙基酯的对映体纯度

  DOI：

  10.1002/hlca.19790620413

文献信息

• Novel allene-acetylene cross-condensation catalyzed by palladium complexes
  作者：Barry M. Trost、Georg Kottirsch

  DOI：10.1021/ja00163a062

  日期：1990.3

  We report our preliminary results, in which we succeeded in achieving such a condensation with an unusual dependence of product regioselectivity on the choice of catalyst

  我们报告了我们的初步结果，其中我们成功地实现了这种缩合，并且产物区域选择性异常依赖于催化剂的选择
• Chiral Allenes via Alkynylogous Mukaiyama Aldol Reaction
  作者：Aurélien Tap、Aurélie Blond、Vijay N. Wakchaure、Benjamin List

  DOI：10.1002/anie.201603649

  日期：2016.7.25

  development of a catalytic enantioselective alkynylogous Mukaiyama aldol reaction. The reaction is catalyzed by a newly designed chiral disulfonimide and delivers chiral allenoates in high yields and with excellent regio‐, diastereo‐, and enantioselectivity. Our process tolerates a broad range of aldehydes in combination with diverse alkynyl‐substituted ketene acetals. The reaction products can be readily

  在本文中，我们描述了催化对映选择性炔烃Mukaiyama醛醇缩合反应的发展。该反应由新设计的手性二磺酰亚胺催化，并以高收率和极佳的区域，非对映和对映选择性提供手性烯丙酸酯。与多种炔基取代的乙烯酮缩醛组合使用，我们的方法可耐受多种醛类。反应产物可以容易地衍生以提供各种高度取代的对映体富集的结构单元。
• Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes
  作者：Nagaraju Koppanathi、K. C. Kumara Swamy

  DOI：10.1039/c6ob00787b

  日期：——

  An efficient base-catalysed regioselective carboannulation of allenoates (or allenylphosphonates) with dialkyl 2-(2-formylphenyl)malonates that leads to multi-substituted naphthalenes in high yields has been developed. This cascade reaction proceeds through Michael addition, cyclisation, dealkoxycarboxylation and tautomerisation. By using an allenylphosphine oxide, a species analogous to one of the

  已经开发了有效的碱催化的烯丙酸酯（或烯丙基膦酸酯）与2-（2-甲酰基苯基）丙二酸二烷基酯的区域选择性碳环化，其导致高产率的多取代萘。该级联反应通过迈克尔加成，环化，脱烷氧基羧化和互变异构进行。通过使用烯丙基膦氧化物，已经分离了类似于机械途径中的中间物种之一的物种。
• COBALT-BASED MRI CONTRAST AGENT AND IMAGING SYSTEM
  申请人：BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

  公开号：US20160136305A1

  公开（公告）日：2016-05-19

  Novel, non-toxic cobalt-based contrast and imaging agents for use in enhanced medical imaging modalities and processes are described, as well the manufacture of markers containing such contrast agents is described, and uses for such imaging markers and contrast agents in a variety of therapeutic applications and devices.

  本发明涉及一种新型的、无毒的基于钴的对比剂和成像试剂，用于增强医学成像模式和过程，同时也描述了制造含有这种对比剂的标记物的方法，以及这种成像标记物和对比剂在各种治疗应用和设备中的用途。
• Fatty acid ester-based wax compositions and methods of making thereof
  申请人：Iowa State University Research Foundation, Inc.

  公开号：US10351798B2

  公开（公告）日：2019-07-16

  This invention relates to a wax composition comprising one or more fatty acid diester compounds having the formula of R1 and R2 are each independently a substituted or unsubstituted C4 to C50 alkyl or aryl; and n1 is an integer from 2 to 10. This invention also relates to a wax composition comprising: a) one or more fatty acid monoester or diester compounds having the formula of: and b) one or more hydroxylated fatty acid diester compounds having the formula of In these formulae, R is H or COR1′; R1′ and R2′ are each independently a substituted or unsubstituted C4 to C50 alkyl or aryl; n2 is an integer from 2 to 24; m is an integer from 2 to 12; and .(OH)m represents 2 to 12 hydroxyl groups substituting for 2 to 12 hydrogen atoms in the alkyl groups R1′ and/or R2′. Uses of the compositions are also disclosed.

  本发明涉及一种蜡组合物，包括一个或多个具有以下公式的脂肪酸二酯化合物：其中R1和R2各自独立地为取代或未取代的C4到C50烷基或芳基；n1为2到10的整数。本发明还涉及一种蜡组合物，包括：a）一个或多个具有以下公式的脂肪酸单酯或二酯化合物：b）一个或多个具有以下公式的羟基化脂肪酸二酯化合物：在这些公式中，R为H或COR1'；R1'和R2'各自独立地为取代或未取代的C4到C50烷基或芳基；n2为2到24的整数；m为2到12的整数；(OH)m代表取代R1'和/或R2'中2到12个氢原子的2到12个羟基。本发明还公开了组合物的用途。

表征谱图