1-(氯甲基)-4-(4-戊基苯基)苯 | 84020-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(氯甲基)-4-(4-戊基苯基)苯
• 英文名称: 4-(4-pentylphenyl)benzyl chloride
• 英文别名: 4-(chloromethyl)-4′-pentyl-1,1′-biphenyl；4-(Chloromethyl)-4'-pentyl-1,1'-biphenyl；1-(chloromethyl)-4-(4-pentylphenyl)benzene
• CAS: 84020-30-4
• 化学式: C₁₈H₂₁Cl
• 分子量: 272.818
• InChiKey: CNKFOKGYWABUJP-UHFFFAOYSA-N

物化性质

• 沸点：
  389.8±31.0 °C(Predicted)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-(4-hydroxyphenyl)-5-pentylisoxazole 、 1-(氯甲基)-4-(4-戊基苯基)苯 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 以76%的产率得到3-(4'-pentyl-4-biphenylmethoxy)phenyl-5-pentylisoxazole
  参考文献：
  名称：

  Synthesis of liquid-crystalline substances from the 5-alkyl-5-arylisoxazole series

  摘要：

  The oxidation of 3-(4-acetoxyphenyl)-5-pentyl-2-isoxazoline with N-bromosuccinimide followed by hydrolysis of the oxidation product furnished 3-(4-hydroxyphenyl)-5-pentyl-isoxazole. Its esterification or benzylation afforded the target liquid-crystalline 3-aryl-5-pentyl-isoxazoles.

  DOI：

  10.1134/s1070428002120151
• 作为产物：
  描述：

  4'-pentyl-biphenyl benzyl alcohol 生成 1-(氯甲基)-4-(4-戊基苯基)苯
  参考文献：
  名称：

  OKABEH, JOSIAKI;KITAMURA, TEHRUO;JOKOKURA, XISAO

  摘要：

  DOI：

文献信息

• Pd-Catalyzed, Highly Selective C(sp2)-Br Bond Coupling Reactions of o-(or m-, or p-) Chloromethyl Bromobenzene with Arylboronic Acids
  作者：Ming-ming Pei、Ping Liu、Yan Liu、Xin-ming Lv、Xiao-wei Ma、Bin Dai

  DOI：10.3390/molecules23020433

  日期：——

  Highly selective C(sp²)-C(sp²) cross-coupling of dihalogenated hydrocarbons comprising C(sp²)-Br and C(sp³)-Cl bonds with arylboronic acids is reported. This highly selective coupling reaction of the C(sp²)-Br bond is successfully achieved using Pd(OAc)₂ and PCy₃·HBF₄ as the palladium source and ligand, respectively. A series of chloromethyl-1,1'-biphenyl compounds are obtained in moderate-to-excellent

  据报道，含C（sp 2）-Br和C（sp 3）-Cl键的二卤代烃与芳基硼酸的高选择性C（sp 2）-C（sp 2）交叉偶联。使用Pd（OAc）2和PCy 3·HBF 3分别作为钯源和配体，成功地完成了C（sp 2）-Br键的这种高选择性偶联反应。以中等至优异的产率获得了一系列的氯甲基-1,1'-联苯化合物。此外，该协议可以扩展到1-溴-4-（氯甲基）苯与两个芳基硼酸的一锅双芳基化反应，从而导致多种不对称的4-苄基-1,1'-联苯衍生物。
• Synthesis of new liquid-crystalline compounds from the 3-aryl-5-alkylpyrazole series
  作者：V. N. Kovganko、N. N. Kovganko

  DOI：10.1134/s1070428006050083

  日期：2006.5

  A method was developed for the preparation of new liquid-crystalline substances, pyrazole derivatives, through the corresponding 2-isoxazolines and isoxazoles. The hydrogenolysis of the heterocycle in 3-(4-hydroxyphenyl)-5-amylisoxazole afforded 1-amino- 1-(4-hydroxyphenyl)-1-octen-3-one. The acid hydrolysis of the compound followed by treating with hydrazine hydrate resulted in 5-amyl-3-(4-hydroxyphenyl)-1H-pyrazole, whose benzylation and esterification with the corresponding mesogenous benzyl chlorides and benzoyl chlorides provided liquid-crystalline 5-alkyl-3-aryl-1H-pyrazoles.
• Synthesis of new liquid crystalline compounds with side chains containing hydroxy groups or chlorine atom
  作者：V. N. Kovganko、N. N. Kovganko

  DOI：10.1134/s1070428006030067

  日期：2006.3

  Catalytic hydrogenation of the oxo group in 3-hydroxy-1-(4-hydroxyphenyl)octan-1-one gave 1-(4-hydroxyphenyl)octane-1.3-diol and 1-(4-hydroxyphenyl)octan-3-ol which were converted into the corresponding benzyl ethers containing a hydroxy group, 1.3-diol fragment, or chlorine atom in the side chain. The products were shown to possess liquid crystalline properties.
• OKABEH, JOSIAKI;KITAMURA, TEHRUO;JOKOKURA, XISAO
  作者：OKABEH, JOSIAKI、KITAMURA, TEHRUO、JOKOKURA, XISAO

  DOI：——

  日期：——
• Synthesis of liquid-crystalline substances from the 5-alkyl-5-arylisoxazole series
  作者：V. N. Kovganko、N. N. Kovganko

  DOI：10.1134/s1070428002120151

  日期：2006.2

  The oxidation of 3-(4-acetoxyphenyl)-5-pentyl-2-isoxazoline with N-bromosuccinimide followed by hydrolysis of the oxidation product furnished 3-(4-hydroxyphenyl)-5-pentyl-isoxazole. Its esterification or benzylation afforded the target liquid-crystalline 3-aryl-5-pentyl-isoxazoles.