2,4-dibromo-1-(4-bromobutoxy)benzene | 109210-28-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-dibromo-1-(4-bromobutoxy)benzene
• CAS: 109210-28-8
• 化学式: C₁₀H₁₁Br₃O
• 分子量: 386.909
• InChiKey: SBULSCBENCJDIA-UHFFFAOYSA-N

物化性质

• 沸点：
  382.9±32.0 °C(Predicted)
• 密度：
  1.855±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  2,4-dibromo-1-(4-bromobutoxy)benzene 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 48.0h， 生成 2-benzoyl-5-(2,4-dibromophenoxy)pentanenitrile
  参考文献：
  名称：

  Reactions of 4-substituted 1-[(difluoromethyl)sulfinyl]polyfluorobenzenes with phenolate anion

  摘要：

  The reactions of 4-substituted-polyfluorinated-[(difluoromethyl)sulfinyl]benzenes ([4-X-C6F4S(O)CHF2 [X = H, CF3 and C6F5S(O)]) with phenolate anion in benzene, Et2O and CH3CN have been investigated. The reactions of the substrate (X = H, CF3) and sodium phenolate in equal amounts resulted in the formation of mixtures of the starting compound, 2-phenoxyderivative and disubstituted products. The two-fold amount of the phenolate afforded the 2,6-disubstituted products for X = H in MeCN and for X = CF3 in Et2O. At the same time, 4-CF3-C6F4S(O)CHF2 in CH3CN gave a mixture of the 2,6- and 2,5-bis(phenoxy) derivatives. Quantum chemical calculations have been performed to explain this phenomenon. For X = C 6 F 5 S(0) in MeCN, the reaction was accompanied by sulfinyl moiety ipso-substitution.[GRAPHICS].

  DOI：

  10.24820/ark.5550190.p011.262
• 作为产物：
  描述：

  1,4-二溴丁烷 、 2,4-二溴苯酚 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 生成 2,4-dibromo-1-(4-bromobutoxy)benzene
  参考文献：
  名称：

  WO2007/67511

  摘要：

  公开号：

文献信息

• Morpholine Carboxamide Prokineticin Receptor Antagonists
  申请人：Thompson Wayne J.

  公开号：US20090306076A1

  公开（公告）日：2009-12-10

  The present invention is directed to morpholine carboxamide compounds which are antagonists of prokineticin receptors, in particular antagonists of prokineticin 2 receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which prokineticin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which prokineticin receptors are involved.

  本发明涉及形态啉羧酰胺化合物，其为促动素受体拮抗剂，特别是促动素2受体拮抗剂，可用于治疗或预防神经和精神障碍和疾病，其中涉及促动素受体。本发明还涉及包含这些化合物的制药组合物以及在涉及促动素受体的这种疾病的预防或治疗中使用这些化合物和组合物的用途。
• MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1959959B1

  公开（公告）日：2013-04-10
• US7855201B2
  申请人：——

  公开号：US7855201B2

  公开（公告）日：2010-12-21
• [EN] MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RECEPTEUR DE PROKINETICINE DE MORPHOLINE-CARBOXAMIDE
  申请人：MERCK & CO INC

  公开号：WO2007067511A2

  公开（公告）日：2007-06-14

  [EN] The present invention is directed to morpholine carboxamide compounds which are antagonists of prokineticin receptors, in particular antagonists of prokineticin 2 receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which prokineticin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which prokineticin receptors are involved.
  [FR] La présente invention concerne des composés de morpholine-carboxamide qui sont des antagonistes de récepteurs de prokinéticine, en particulier des antagonistes de récepteurs de prokinéticine 2, et qui sont utiles dans le traitement ou la prévention de troubles et maladies neurologiques et psychiatriques dans lesquels des récepteurs de prokinéticine sont impliqués. L'invention concerne également des compositions pharmaceutiques comprenant ces composés et l'utilisation de ces composés et compositions dans la prévention ou le traitement de telles maladies dans lesquelles des récepteurs de prokinéticine sont impliqués.