(3-甲基丁基)烯丙基丙二酸二乙酯 | 59726-44-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: (3-甲基丁基)烯丙基丙二酸二乙酯
• 英文名称: diethyl 2-(3-methylbutyl)-2-(propen-2-yl)malonate
• 英文别名: 2-isoamyl-2-ethoxycarbonylpenten-4-oic acid ethyl ester；Isopentyl-allyl-malonsaeurediethylester；diethyl (3-methylbutyl)allylmalonate；diethyl 2-(3-methylbutyl)-2-prop-2-enylpropanedioate
• CAS: 59726-44-2
• 化学式: C₁₅H₂₆O₄
• 分子量: 270.369
• InChiKey: UWMMFJJQWYLAAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-甲基丁基)烯丙基丙二酸二乙酯 在 硫酸 、 水 、 sodium ethanolate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 19.5h， 生成 5-(2-hydroxypropyl)-5-(3-methylbutyl)-2-thiobarbituric acid
  参考文献：
  名称：

  Competition between two metabolic pathways: oxidation and desulfuration in the thiobarbiturate series

  摘要：

  In order to study the competition between hepatic hydroxylation and desulfuration in the thiobarbiturate series, two compounds bearing a branched side chain with a tertiary carbon atom in position omega-1 were administered to rats over about one week, Urine and faeces were collected and extracted. The metabolites isolated were identified. It was shown that desulfuration was not the major metabolic pathway, and that, when it took place, it remained a minor process and was accompanied by gamma-hydroxylation into a tertiary alcohol.

  DOI：

  10.1016/0223-5234(96)88296-1
• 作为产物：
  描述：

  烯丙基丙二酸二乙酯 以71%的产率得到
  参考文献：
  名称：

  KURATA KUMIKO; TANAKA SHIGERU; TAKAHASHI KIYOSHI, CHEM. AND PHARM. BULL. , 1976, 24, NO 3, 538-540

  摘要：

  DOI：

文献信息

• Synthese de .DELTA.-lactones. V. Synthese d'alcoyl-3 .DELTA.-lactones.
  作者：KUMIKO KURATA、SHIGERU TANAKA、KIYOSHI TAKAHASHI

  DOI：10.1248/cpb.24.538

  日期：——

  Par condensation du bromure d'allyle, puis des halogenures d'alcoyles sur le malonate d'ethyle, nous avons prepare des alcoyl-allyl malonates d'ethyles. L'hydrolyse de ces esters donne des acides alcoyl-2Δ4-pentenoiques que I'on transforme, au moyen du bis-(methyl-3 butyl-2) borane, en acides alcoyl-2 hydroxy-5 pentanoiques. La cyclodehydration de ces acides hydroxyles conduit a des alcoyl-3 δ-lactones.

  通过溴代烯丙烷的缩合，然后通过烷基卤化物与乙基丙二酸酯反应，我们制备了乙基烷基烯丙基丙二酸酯。这些酯的水解产生烷基-2Δ4-戊烯酸，利用双（3-甲基-2-丁基）硼烷，将其转化为烷基-2-羟基-5-戊酸。这些羟基酸的环化脱水反应产生烷基-3-δ-内酯。
• Efficient chemoselective alkylation of quinoline 2,4-diol derivatives in water
  作者：Nafees Ahmed、Keyur G. Brahmbhatt、Inder P. Singh、Kamlesh K. Bhutani

  DOI：10.1002/jhet.364

  日期：2011.1

  Synthesis of various C‐3‐dialkyl derivatives of quinoline 2,4‐diol was achieved by condensation of aniline or substituted anilines with diethyl malonate, followed by chemoselective alkylation at C‐3 in water. The higher yields, easy work up and environmental compatible conditions are the main aspects of our method. J. Heterocyclic Chem., 2011.

  苯胺或取代的苯胺与丙二酸二乙酯的缩合反应，然后在水中的C-3进行化学选择性烷基化，从而实现喹啉2,4-二醇的各种C-3-二烷基衍生物的合成。较高的收率，易于加工和与环境兼容的条件是我们方法的主要方面。J.杂环化​​学.2011。
• Derkatsch; Petrun'kin, 1957, p. 19,20
  作者：Derkatsch、Petrun'kin

  DOI：——

  日期：——
• Synthesis and antiviral activity of some oxygen-containing heterocyclic compounds
  作者：M. G. Zalinyan、G. G. Danagulyan、E. A. Abgaryan、N. G. Balasanyan、É. R. Kalashyan、L. V. Korobchenko、G. V. Vladyko、E. I. Boreko、N. P. Mishaeva、I. K. Zubovich

  DOI：10.1007/bf00777143

  日期：1992.7
• Competition between two metabolic pathways: oxidation and desulfuration in the thiobarbiturate series
  作者：A Yebga、S Ménager、P Vérité、C Combet Farnoux、O Lafont

  DOI：10.1016/0223-5234(96)88296-1

  日期：1995.1

  In order to study the competition between hepatic hydroxylation and desulfuration in the thiobarbiturate series, two compounds bearing a branched side chain with a tertiary carbon atom in position omega-1 were administered to rats over about one week, Urine and faeces were collected and extracted. The metabolites isolated were identified. It was shown that desulfuration was not the major metabolic pathway, and that, when it took place, it remained a minor process and was accompanied by gamma-hydroxylation into a tertiary alcohol.