Diethyl [3-(4-methylphenoxy)propyl]malonate | 415936-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Diethyl [3-(4-methylphenoxy)propyl]malonate
• 英文别名: diethyl 2-[3-(4-methylphenoxy)propyl]propanedioate
• CAS: 415936-88-8
• 化学式: C₁₇H₂₄O₅
• 分子量: 308.375
• InChiKey: RFOBXGHJUYJUKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Diethyl [3-(4-methylphenoxy)propyl]malonate 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 生成 5-(4'-methylphenoxy)pentanoic acid
  参考文献：
  名称：

  Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids

  摘要：

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.

  DOI：

  10.1016/0039-128x(83)90101-0
• 作为产物：
  描述：

  3-(4-methylphenoxy)propan-1-ol 在 三溴化磷 作用下， 生成 Diethyl [3-(4-methylphenoxy)propyl]malonate
  参考文献：
  名称：

  Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids

  摘要：

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.

  DOI：

  10.1016/0039-128x(83)90101-0

文献信息

• Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids
  作者：A.S.C. Wan、T.L. Ngiam、S.L. Leung、M.L. Go、P.W.S. Heng、(The Late) P.N. Natarajan、A. Shafiee、M. Vossoghi、F. Savabi、C.G. Francisco、R. Freire、R. Hernandez、J.A. Salazar、E. Suarez、G.A.Garcia De La Mora、Y.Grillasca R.、O. Jimeno

  DOI：10.1016/0039-128x(83)90101-0

  日期：1983.3

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.