5-(4-甲基苯氧基)戊酰氯 | 89326-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-(4-甲基苯氧基)戊酰氯
• 英文名称: 5-p-Tolyloxy-pentanoyl chloride
• 英文别名: 5-(4-Methylphenoxy)pentanoyl chloride；5-(4-methylphenoxy)pentanoyl chloride
• CAS: 89326-65-8
• 化学式: C₁₂H₁₅ClO₂
• 分子量: 226.703
• InChiKey: NDIOAFBHVLSDKU-UHFFFAOYSA-N

物化性质

• 沸点：
  327.9±25.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  炔诺酮 、 5-(4-甲基苯氧基)戊酰氯 在 thallium (I) ethoxide 作用下， 以 苯 为溶剂， 生成 5-p-Tolyloxy-pentanoic acid (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester
  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：

  5-(4'-methylphenoxy)pentanoic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 5-(4-甲基苯氧基)戊酰氯
  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.