1-hydroxy-2-(4-propanoylphenoxy)ethane | 31769-46-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-hydroxy-2-(4-propanoylphenoxy)ethane
• 英文别名: 1-[4-(2-Hydroxyethoxy)phenyl]propan-1-one
• CAS: 31769-46-7
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD09951448
• 分子量: 194.23
• InChiKey: XYOJIVCLIYUBHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯吡啶 、 一氧化碳 、 1-hydroxy-2-(4-propanoylphenoxy)ethane 在 二(氰基苯)二氯化钯 、 1,3-双(二苯基膦)丙烷 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 130.0 ℃ 、2.5 MPa 条件下， 反应 14.0h， 生成 pyridine-2-carboxylic acid 2-(4-propionyl-phenoxy)-ethyl ester
  参考文献：
  名称：

  No Stirring Necessary:  Parallel Carbonylation of Aryl Halides with CO and Various Alcohols under Pressure

  摘要：

  The parallel carbonylation of aryl halides with 6-25 bar of CO in 1-mL vials in a standard autoclave was investigated. 4-Bromoacetophenone and 2-chloropyridine were used as model substrates with 102 different O-nucleophiles (primary and secondary alcohols, phenols). No inertization during the loading was necessary. Fifty esters (43 new, yield up to 60%) were isolated and characterized. Ether, ester, ketone, and sometimes even olefin functions were usually tolerated. The new method is suitable for screening and small scale products synthesis.

  DOI：

  10.1021/jo034112v
• 作为产物：
  描述：

  乙二醇苯醚醋酸酯 在 sodium hydroxide 、 三氯化铝 作用下， 以 二硫化碳 、 乙醇 、 水 为溶剂， 生成 1-hydroxy-2-(4-propanoylphenoxy)ethane
  参考文献：
  名称：

  Lukac, Ivan; Zvara, Ivan; Kulickova, Magdalena, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 6, p. 1826 - 1830

  摘要：

  DOI：

文献信息

• LUKAC I.; ZVARA I.; KULICKOVA M.; HRDLOVIC P., COLLECT. CZECZ. CHEM. COMMUN., 1980, 45, NO 6, 1826-1830
  作者：LUKAC I.、 ZVARA I.、 KULICKOVA M.、 HRDLOVIC P.

  DOI：——

  日期：——
• KULIEV A. M.; SARDAROVA S. A.; MAMEDOV F. N.; GUSEJNOV M. S., V. SB. PRISADKI K SMAZOCH. MASLAM, VYP. 4. BAKU, EHLM, 1976, 116-120
  作者：KULIEV A. M.、 SARDAROVA S. A.、 MAMEDOV F. N.、 GUSEJNOV M. S.

  DOI：——

  日期：——
• No Stirring Necessary:  Parallel Carbonylation of Aryl Halides with CO and Various Alcohols under Pressure
  作者：Hans-Ulrich Blaser、Martin Diggelmann、Hans Meier、Frédéric Naud、Elke Scheppach、Anita Schnyder、Martin Studer

  DOI：10.1021/jo034112v

  日期：2003.5.1

  The parallel carbonylation of aryl halides with 6-25 bar of CO in 1-mL vials in a standard autoclave was investigated. 4-Bromoacetophenone and 2-chloropyridine were used as model substrates with 102 different O-nucleophiles (primary and secondary alcohols, phenols). No inertization during the loading was necessary. Fifty esters (43 new, yield up to 60%) were isolated and characterized. Ether, ester, ketone, and sometimes even olefin functions were usually tolerated. The new method is suitable for screening and small scale products synthesis.
• Lukac, Ivan; Zvara, Ivan; Kulickova, Magdalena, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 6, p. 1826 - 1830
  作者：Lukac, Ivan、Zvara, Ivan、Kulickova, Magdalena、Hrdlovic, Pavol

  DOI：——

  日期：——