4-phenoxy-2-bromomethylphenyl bromide | 77317-54-5

• 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: 4-phenoxy-2-bromomethylphenyl bromide
• 英文别名: 1-bromo-2-(bromomethyl)-4-phenoxybenzene
• CAS: 77317-54-5
• 化学式: C₁₃H₁₀Br₂O
• 分子量: 342.03
• InChiKey: ZHXDNJZJZKZRKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  4-phenoxy-2-bromomethylphenyl bromide 、 sodium acetate 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery and structure–activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis

  摘要：

  A series of phenoxy benzoxaboroles were synthesized and screened for their inhibitory activity against PDE4 and cytokine release. 5-(4-Cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2728) showed potent activity both in vitro and in vivo. This compound is now in clinical development for the topical treatment of psoriasis and being pursued for the topical treatment of atopic dermatitis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.007
• 作为产物：
  描述：

  1-溴-2-甲基-4-苯氧基苯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 生成 4-phenoxy-2-bromomethylphenyl bromide
  参考文献：
  名称：

  Discovery and structure–activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis

  摘要：

  A series of phenoxy benzoxaboroles were synthesized and screened for their inhibitory activity against PDE4 and cytokine release. 5-(4-Cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2728) showed potent activity both in vitro and in vivo. This compound is now in clinical development for the topical treatment of psoriasis and being pursued for the topical treatment of atopic dermatitis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.007

文献信息

• Method of antagonizing herbicides on soyabean and cotton
  申请人：Imperial Chemical Industries Limited

  公开号：US04242121A1

  公开（公告）日：1980-12-30

  Method of protecting legumes and cotton from herbicidal damage using a compound of formula: ##STR1## wherein R.sub.1 and R.sub.2 are hydrogen, halogen, alkoxy, alkyl, trihalomethyl, amino or hydroxy, Q is carboxy, x is 1, m is 1 or 2, and n is 1 or 2.

  使用一种具有以下结构的化合物来保护豆类和棉花免受除草剂损害的方法： 其中R.sub.1和R.sub.2为氢、卤素、烷氧基、烷基、三卤甲基、氨基或羟基，Q为羧基，x为1，m为1或2，n为1或2。
• Process for the manufacture of a mixture of 3-phenoxybenzyl bromide and 3-phenoxybenzal bromide
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0003380A1

  公开（公告）日：1979-08-08

  A process for the manufacture of a mixture of 3-phenoxy-benzyl bromide and 3-phenoxybenzal bromide by the reaction of a molar excess of molecular bromine on 3-phenoxytoluene, wherein the molar excess of bromine is in the range 1.3 to 1.5 moles of molecular bromine per mol. of the toluene, and in that the reaction is carried out at a temperature in the range 195°C to 235°C in the presence of an inert gas and in the absence of: (a) actinic radiation; (b) an added catalyst or initiator; or (c) an added solvent. The mixture of bromides is a useful starting material in the manufacture of 3-phenoxybenzaldehyde which is a key intermediate in the manufacture of pyrethroid insecticides.

  一种通过摩尔过量的分子溴与 3-苯氧基甲苯反应制取 3-苯氧基溴化苄和 3-苯氧基溴化苄混合物的工艺，其中溴的摩尔过量范围为每摩尔甲苯含 1.3 至 1.5 摩尔分子溴。该反应在 195℃至 235℃的温度范围内进行，有惰性气体存在，没有：(a) 阳极辐射；(b) 添加的催化剂或引发剂；或 (c) 添加的溶剂。溴化物混合物是制造 3-苯氧基苯甲醛的有用起始原料，而 3-苯氧基苯甲醛是制造拟除虫菊酯类杀虫剂的关键中间体。
• METHOD FOR PRODUCING BENZALDEHYDE COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2149545B1

  公开（公告）日：2016-10-05
• US4242121A
  申请人：——

  公开号：US4242121A

  公开（公告）日：1980-12-30
• US7994367B2
  申请人：——

  公开号：US7994367B2

  公开（公告）日：2011-08-09