3-氯-1,1-二乙氧基丙烷-2-醇 | 125781-03-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 中文名称: 3-氯-1,1-二乙氧基丙烷-2-醇
• 英文名称: 3-chloro-2-hydroxypropanal diethyl acetal
• 英文别名: 3-chloro-1,1-diethoxypropan-2-ol；3-Chloro-1,1-diethoxy-propan-2-ol
• CAS: 125781-03-5
• 化学式: C₇H₁₅ClO₃
• mdl: MFCD09031014
• 分子量: 182.647
• InChiKey: NMEDRIAZFORLQA-UHFFFAOYSA-N

物化性质

• 沸点：
  259.9±35.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氯-1,1-二乙氧基丙烷-2-醇 在 buffer pH 1 作用下， 生成 2-羟基-3-氯丙醛
  参考文献：
  名称：

  Liu, Kevin K.-C.; Pederdon, Richard L.; Wong, Chi-Huey, Journal of the Chemical Society. Perkin transactions I, 1991, p. 2669 - 2673

  摘要：

  DOI：
• 作为产物：
  描述：

  环氧丙烯醛缩二乙醇 在 magnesium 、 2-(chloromethyl)-9,10-dimethoxyanthracene 作用下， 以 四氢呋喃 为溶剂， 生成 3-氯-1,1-二乙氧基丙烷-2-醇
  参考文献：
  名称：

  The first total synthesis of (±)-zenkequinone B

  摘要：

  The first total synthesis of tetrahydrobenzo[a]anthraquinone natural product (+/-)-zenkequinone B (1) is reported. The key step involves the TiCl(4)-promoted intramolecular cyclization of 4-aryl-2-hydroxybutanal diethyl acetal 4 to give compound 3. The total synthesis of (+/-)-zenekequinone B (1) has been accomplished in five steps from readily available 2-(chloromethyl)-9,10-dimethoxyanthracene (5) in 40.3% overall yield. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.02.103

文献信息

• The efficient resolution of protected diols and hydroxy aldehydes by lipases: steric auxiliary approach and synthetic applications
  作者：Mahn-Joo Kim、In Taek Lim、Gil-Bae Choi、Sang-Yeul Whang、Bon-Cheol Ku、Jin-Young Choi

  DOI：10.1016/0960-894x(95)00550-d

  日期：1996.1

  1,n-Diols (n = 2 - 5) and 2-hydroxy aldehydes protected with a steric auxiliary are transformed by Pseudomonas lipases with high enantioselectivity, thus allowing the efficient resolution of these molecules and the synthesis of related derivatives with high optical purity.
• The first total synthesis of (±)-zenkequinone B
  作者：Rammohan Devulapally、Yung-Son Hon

  DOI：10.1016/j.tetlet.2011.02.103

  日期：2011.6

  The first total synthesis of tetrahydrobenzo[a]anthraquinone natural product (+/-)-zenkequinone B (1) is reported. The key step involves the TiCl(4)-promoted intramolecular cyclization of 4-aryl-2-hydroxybutanal diethyl acetal 4 to give compound 3. The total synthesis of (+/-)-zenekequinone B (1) has been accomplished in five steps from readily available 2-(chloromethyl)-9,10-dimethoxyanthracene (5) in 40.3% overall yield. (C) 2011 Published by Elsevier Ltd.
• Liu, Kevin K.-C.; Pederdon, Richard L.; Wong, Chi-Huey, Journal of the Chemical Society. Perkin transactions I, 1991, p. 2669 - 2673
  作者：Liu, Kevin K.-C.、Pederdon, Richard L.、Wong, Chi-Huey

  DOI：——

  日期：——