3-(4-chlorobutyl)methoxybenzene | 258882-51-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-chlorobutyl)methoxybenzene
• 英文别名: Benzene, 1-(4-chlorobutyl)-3-methoxy-；1-(4-chlorobutyl)-3-methoxybenzene
• CAS: 258882-51-8
• 化学式: C₁₁H₁₅ClO
• 分子量: 198.692
• InChiKey: SUWWBOYYHIMLDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  293.3±23.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-氯苯基)哌嗪 、 3-(4-chlorobutyl)methoxybenzene 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以36%的产率得到1-(4-Chloro-phenyl)-4-[4-(3-methoxy-phenyl)-butyl]-piperazine
  参考文献：
  名称：

  A Structure−Affinity Relationship Study on Derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a High-Affinity and Selective D₄ Receptor Ligand

  摘要：

  N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D-4 receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some semirigid analogues. The binding profile at dopamine D-4 and dopamine D-2, serotonin 5-HT1A, and adrenergic ar receptors of 16 new compounds was determined. From the results emerged that the modification of the amide bond and the elongation of the intermediate alkyl chain caused a decrease in dopamine D-4 receptor affinity. All prepared semirigid analogues displayed D-4 receptor affinity values in the same range of the opened counterparts.

  DOI：

  10.1021/jm991138z
• 作为产物：
  描述：

  3-甲氧基-alpha-[(三甲基硅烷基)氧基]-苯乙腈 在 三氯化铝 、 borane tert-butylamine 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 3-(4-chlorobutyl)methoxybenzene
  参考文献：
  名称：

  A Structure−Affinity Relationship Study on Derivatives of N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a High-Affinity and Selective D₄ Receptor Ligand

  摘要：

  N-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide (1), a high-affinity and selective dopamine D-4 receptor ligand, was chosen as a lead, and structural modifications were done on its amide bond and on its alkyl chain linking the benzamide moiety to the piperazine ring and by preparing some semirigid analogues. The binding profile at dopamine D-4 and dopamine D-2, serotonin 5-HT1A, and adrenergic ar receptors of 16 new compounds was determined. From the results emerged that the modification of the amide bond and the elongation of the intermediate alkyl chain caused a decrease in dopamine D-4 receptor affinity. All prepared semirigid analogues displayed D-4 receptor affinity values in the same range of the opened counterparts.

  DOI：

  10.1021/jm991138z

文献信息

• PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1369405B1

  公开（公告）日：2007-09-19
• SUBSTITUTED BUTYROPHENONE DERIVATIVES
  申请人：Clera Inc.

  公开号：EP1874730A1

  公开（公告）日：2008-01-09
• EP1874730A4
  申请人：——

  公开号：EP1874730A4

  公开（公告）日：2009-06-10
• Process for producing 1-chloro-4-arylbutane
  申请人：——

  公开号：US20040097763A1

  公开（公告）日：2004-05-20

  There is provided an industrially advantageous process for producing a 1-chloro-4-arylbutane represented by the general formula (2): 1 wherein R represents hydrogen, lower alkyl, or lower alkoxy, characterized by reacting 1-bromo-3-chloropropane with a compound represented by the general formula (1): 2 wherein R is as defined above; and X represents chlorine, bromine, or iodine, in a solvent.
• US6861566B2
  申请人：——

  公开号：US6861566B2

  公开（公告）日：2005-03-01