5-bromo-2-(isopropylthio)benzaldehyde | 1269284-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-bromo-2-(isopropylthio)benzaldehyde
• 英文别名: 5-Bromo-2-propan-2-ylsulfanylbenzaldehyde；5-bromo-2-propan-2-ylsulfanylbenzaldehyde
• CAS: 1269284-27-6
• 化学式: C₁₀H₁₁BrOS
• 分子量: 259.167
• InChiKey: JKZWVDFHVKDSNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 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：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-2-(isopropylthio)benzaldehyde 在 四(三苯基膦)钯 、 potassium tert-butylate 、 potassium carbonate 作用下， 以 乙醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 isopropyl(vinylbiphenyl-4-yl)sulfide
  参考文献：
  名称：

  Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes

  摘要：

  cis-Dichloro-trans-dichloro isomerization was studied in sulfur-chelated ruthenium benzylidenes. The effect of solvents and additives on the isomerization process was analyzed. Notably, pi-acid ligand molecules, dichloromethane, and polar solvents were found to significantly accelerate the isomerization rate. As expected, the cis-trans isomer equilibria had a strong effect on the olefin metathesis reactivity; the bulkier cis-dichloro catalysts, which show a larger amount of trans isomer in the equilibrium, were more reactive than their less bulky counterparts. This tendency was generally reversed in the isolated trans isomer series, where both steric factors and faster isomerization play a role in dictating the olefin metathesis reactivity. A better understanding of the trans-cis isomerization and the mechanism that governs reactivity in strongly chelated cis-dichloro ruthenium benzylidenes was obtained.

  DOI：

  10.1021/om1011402
• 作为产物：
  描述：

  异丙硫醇 、 5-溴-2-氟苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以98.15%的产率得到5-bromo-2-(isopropylthio)benzaldehyde
  参考文献：
  名称：

  BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST

  摘要：

  公开号：

  EP3567028B1

文献信息

• Biphenyl compound as CCR2/CCR5 receptor antagonist
  申请人：Medshine Discovery Inc.

  公开号：US11155523B2

  公开（公告）日：2021-10-26

  Provided is a CCR2/CCR5 receptor antagonist and the use thereof in the preparation of a drug for treating diseases associated with the CCR2/CCR5. In particular, disclosed are a compound represented by formula (I) and a pharmaceutically acceptable salt thereof.

  本发明提供了一种 CCR2/CCR5 受体拮抗剂及其在制备治疗与 CCR2/CCR5 相关疾病的药物中的用途。特别是公开了由式（I）代表的化合物及其药学上可接受的盐。
• BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST
  申请人：Medshine Discovery Inc.

  公开号：EP3567028B1

  公开（公告）日：2022-01-05
• Biphenyl Compound As CCR2/CCR5 Receptor Antagonist
  申请人：Medshine Discovery Inc.

  公开号：US20200223801A1

  公开（公告）日：2020-07-16

  Provided is a CCR2/CCR5 receptor antagonist and the use thereof in the preparation of a drug for treating diseases associated with the CCR2/CCR5. In particular, disclosed are a compound represented by formula (I) and a pharmaceutically acceptable salt thereof.
• Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes
  作者：Anna Aharoni、Yuval Vidavsky、Charles E. Diesendruck、Amos Ben-Asuly、Israel Goldberg、N. Gabriel Lemcoff

  DOI：10.1021/om1011402

  日期：2011.3.28

  cis-Dichloro-trans-dichloro isomerization was studied in sulfur-chelated ruthenium benzylidenes. The effect of solvents and additives on the isomerization process was analyzed. Notably, pi-acid ligand molecules, dichloromethane, and polar solvents were found to significantly accelerate the isomerization rate. As expected, the cis-trans isomer equilibria had a strong effect on the olefin metathesis reactivity; the bulkier cis-dichloro catalysts, which show a larger amount of trans isomer in the equilibrium, were more reactive than their less bulky counterparts. This tendency was generally reversed in the isolated trans isomer series, where both steric factors and faster isomerization play a role in dictating the olefin metathesis reactivity. A better understanding of the trans-cis isomerization and the mechanism that governs reactivity in strongly chelated cis-dichloro ruthenium benzylidenes was obtained.