3-chloro-4-(β-chloro)isoipropylbenzaldehyde | 163082-53-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-chloro-4-(β-chloro)isoipropylbenzaldehyde
• 英文别名: 3-Chloro-4-(2-chloro-1-methylethyl)benzaldehyde；3-chloro-4-(1-chloropropan-2-yl)benzaldehyde
• CAS: 163082-53-9
• 化学式: C₁₀H₁₀Cl₂O
• 分子量: 217.095
• InChiKey: RVTUCBMCPKXBJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,5-二甲基苄氯 、 3-chloro-4-(β-chloro)isoipropylbenzaldehyde 、 、 1-[3-Chloro-4-(2-chloro-1-methyl-ethyl)-phenyl]-2-(2,5-dimethyl-phenyl)-ethanol 在 palladium on activated charcoal 碘 、 magnesium 、 硫酸 、 溶剂黄146 、 氢气 作用下， 以 乙醚 、 溶剂黄146 、 乙醇 为溶剂， 反应 1.34h， 生成 1-(2,5-dimethylphenyl)-2-(3-chloro-4-(β-chloroisopropyl)phenyl)ethane
  参考文献：
  名称：

  Synthesis of chlorinated alkylbibenzyls and 9-chlororetene

  摘要：

  The synthesis of chlorinated alkylbibenzyls and 9-chlororetene is described. These compounds were sythesized for use as model compounds in analytical and toxicological characterization. The structures of the synthesized model compounds found to be very similar to those identified in pulp mill effluent and products. The H-1 NMR and mass spectral data for the compounds are also reported.

  DOI：

  10.1016/0045-6535(94)00445-z
• 作为产物：
  描述：

  1,1-diacetoxy-1-(4-i-propylphenyl)methane 、 乙酸酐 、 4-异丙基苯甲醛 在 硫酸 、 氢氧化钾 、 sodium acetate 、 氯 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 反应 1.5h， 以1.5 g的产率得到3-chloro-4-isopropylbenzaldehyde
  参考文献：
  名称：

  Synthesis of chlorinated alkylbibenzyls and 9-chlororetene

  摘要：

  The synthesis of chlorinated alkylbibenzyls and 9-chlororetene is described. These compounds were sythesized for use as model compounds in analytical and toxicological characterization. The structures of the synthesized model compounds found to be very similar to those identified in pulp mill effluent and products. The H-1 NMR and mass spectral data for the compounds are also reported.

  DOI：

  10.1016/0045-6535(94)00445-z

文献信息

• Synthesis of chlorinated alkylbibenzyls and 9-chlororetene
  作者：Tapio Nevalainen

  DOI：10.1016/0045-6535(94)00445-z

  日期：1995.3

  The synthesis of chlorinated alkylbibenzyls and 9-chlororetene is described. These compounds were sythesized for use as model compounds in analytical and toxicological characterization. The structures of the synthesized model compounds found to be very similar to those identified in pulp mill effluent and products. The H-1 NMR and mass spectral data for the compounds are also reported.