4-(2-chloroethyl)-3,5-dimethylphenol | 1020666-84-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(2-chloroethyl)-3,5-dimethylphenol
• 英文别名: 4-(2-Chloroethyl)-3,5-dimethylphenol
• CAS: 1020666-84-5
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: IKCWKHSFVKFVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  8-hydroxy-4,8-dimethylspiro[2.5]oct-4-en-6-one 在 三氟化硼乙醚 、 四丁基氯化铵 作用下， 反应 12.0h， 以73%的产率得到4-(2-chloroethyl)-3,5-dimethylphenol
  参考文献：
  名称：

  Synthesis and reactions of hydroxyspiro[5.2]cyclooctenones based on the cyclization of the dianions of acetone and diethyl 2-oxopropylphosphonate with 1,1-diacylcyclopropanes

  摘要：

  The cyclization of the dianions of diethyl 2-oxopropylphosph on ate and of acetone with 1,1-diacylopropanes afforded hydroxyspiro[5.2]cyclo octen ones which were transformed, by homo-Michael reactions with tetrabutylammonium halides, into various functionalized phenols or their dimers. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.036

文献信息

• Synthesis and reactions of functionalized spirocyclopropanes by cyclization of dilithiated β-ketosulfones, α-cyanoacetone and diethyl 2-oxopropylphosphonate with 1,1-diacetylcyclopropane
  作者：Nasir Rasool、Muhammad A. Rashid、Helmut Reinke、Christine Fischer、Peter Langer

  DOI：10.1016/j.tet.2008.01.066

  日期：2008.3

  The cyclization of beta-ketosulfone, beta-ketonitrile and beta-ketophosphonate dianions with 1,1-diacetylcyclopropane afforded 1-hydroxyspiro[5.2]-cyclooct-4-en-3-ones, which were transformed, by reaction with tetrabutylammonium halides, into functionalized phenols containing a remote halide function. (c) 2008 Elsevier Ltd. All rights reserved.
• Synthesis and reactions of hydroxyspiro[5.2]cyclooctenones based on the cyclization of the dianions of acetone and diethyl 2-oxopropylphosphonate with 1,1-diacylcyclopropanes
  作者：Nasir Rasool、Muhammad A. Rashid、Muhammad Adeel、Helmar Görls、Peter Langer

  DOI：10.1016/j.tetlet.2008.02.036

  日期：2008.3

  The cyclization of the dianions of diethyl 2-oxopropylphosph on ate and of acetone with 1,1-diacylopropanes afforded hydroxyspiro[5.2]cyclo octen ones which were transformed, by homo-Michael reactions with tetrabutylammonium halides, into various functionalized phenols or their dimers. (C) 2008 Elsevier Ltd. All rights reserved.