3-(4-氯苯氧基)苯基溴 | 6842-61-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-氯苯氧基)苯基溴
• 英文名称: 3-(4-chlorophenoxy)phenyl bromide
• 英文别名: 3-(4-chlorophenoxy)bromobenzene；1-bromo-3-(4-chloro-phenoxy)-benzene；3-bromo-4'-chlorodiphenyl ether；3-Bromphenyl-4-chlorphenylether；4-Chlorphenyl-3-bromphenylether；3-Brom-4'-chlordiphenylaether；Benzene, 1-bromo-3-(4-chlorophenoxy)-；1-bromo-3-(4-chlorophenoxy)benzene
• CAS: 6842-61-1
• 化学式: C₁₂H₈BrClO
• 分子量: 283.552
• InChiKey: SCRYDQQUKDZQRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  3-(4-氯苯氧基)苯基溴 在 platinum(IV) oxide palladium diacetate 、 potassium tert-butylate 、 氢气 、 溶剂黄146 、 牛血清白蛋白 、 三乙胺 、 氯乙酸 、 三(邻甲基苯基)磷 作用下， 以 乙醇 、 乙腈 为溶剂， 25.0~100.0 ℃ 、206.84 kPa 条件下， 反应 59.0h， 生成 2-[[5-[[3-(4-Chlorophenoxy)phenyl]methyl]-2,4-dioxopyrimidin-1-yl]methoxy]ethyl acetate
  参考文献：
  名称：

  Inhibition of Uridine Phosphorylase. Synthesis and Structure−Activity Relationships of Aryl-Substituted 1-((2-Hydroxyethoxy)methyl)-5-(3-phenoxybenzyl)uracil

  摘要：

  Structure-activity relationship studies on a series of 1-((2-hydroxyethoxy)methyl)-5-(3(substituted-phenoxy)benzyl)uracils as inhibitors of murine liver uridine phosphorylase have led to compounds with IC(50)s as low as 1.4 nM. The two most potent compounds, 10j (3-cyanophenoxy) and 11f (3-chlorophenoxy) were tested in vivo for effects on steady-state concentrations of circulating uridine in mice and rats. Both compounds were substantially more efficacious than BAU (5-benzylacyclouridine) both in vitro and in vivo.

  DOI：

  10.1021/jm960688j
• 作为产物：
  描述：

  二苯醚 在 溴 、 氯 、 溶剂黄146 作用下， 生成 3-(4-氯苯氧基)苯基溴
  参考文献：
  名称：

  The Chlorination of Phenyl Ether and Orientation in 4-Chlorophenyl Ether

  摘要：

  DOI：

  10.1021/ja01868a068

文献信息

• Insecticidal substituted-2,4-diaminoquinazolines
  申请人：FMC Corporation

  公开号：US05534518A1

  公开（公告）日：1996-07-09

  An insecticidal composition comprising, in admixture with an agriculturally acceptable carrier, an insecticidally effective amount of a 2,4-diaminoquinazoline compound of the formula: ##STR1## wherein R.sup.1, R.sup.2, R.sup.6, R.sup.7, W, X, Y, and Z are as defined herein; methods of using the same; novel 2,4-diaminoquinazolines per se; and intermediates in the preparation thereof.

  一种含有农业上可接受载体的杀虫组合物，该组合物包含有效杀虫量的2,4-二氨基喹唑啉化合物，其化学公式如下：##STR1## 其中，R.sup.1、R.sup.2、R.sup.6、R.sup.7、W、X、Y和Z的定义如本文所述；使用该化合物的方法；新颖的2,4-二氨基喹唑啉本身；以及制备该化合物的中间体。
• N-[1-(3-phenoxyphenyl)ethyl]acetohydroxamic acid compounds which are
  申请人：Burroughs Wellcome Co.

  公开号：US04988733A1

  公开（公告）日：1991-01-29

  The present invention provides compounds of formula (II) ##STR1## wherein q is 1, and p is 1; Ar is phenyl optionally substituted by one or more substitutents independently selected from C.sub.1-4 alkyl (which may be substituted by one or more halogen atoms) and halogen; L is --O--; Ar' is 1,3- or 1,4-phenylene; Y is (E)--CH.dbd.CH--; V is hydrogen or C.sub.1-4 alkyl; W is C.sub.1-4 alkyl; and Q is a moiety of formula ##STR2## wherein m is 1, R.sup.1 is hydrogen, and R.sup.2 is hydrogen or C.sub.1-4 alkyl; and salts thereof, processes for the preparation of these compounds, pharmaceutical formulations containing them, and uses for them in medicine and in other applications.

  本发明提供了式（II）的化合物 其中q为1，p为1；Ar为苯基，可选地由一个或多个取代基独立选择自C.sub.1-4烷基（可能被一个或多个卤原子取代）和卤素；L为--O--; Ar'为1,3-或1,4-苯基；Y为（E）-CH.dbd.CH--; V为氢或C.sub.1-4烷基；W为C.sub.1-4烷基；Q为式的一个基团 其中m为1，R.sup.1为氢，R.sup.2为氢或C.sub.1-4烷基；以及这些化合物的制备方法、含有它们的制药配方以及它们在医学和其他应用中的用途。
• 2-cyano-1-aminobenzene compounds
  申请人：FMC Corporation

  公开号：US05616718A1

  公开（公告）日：1997-04-01

  A compound having the formula: ##STR1## wherein W, X, Y, and Z are as defined in the specification is useful for making 2,4-diaminoquinazolines.

  具有以下式子的化合物：##STR1## 其中W、X、Y和Z的定义如规范所述，可用于制备2,4-二氨基喹唑啉。
• The SAR of brain penetration for a series of heteroaryl urea FAAH inhibitors
  作者：John M. Keith、Mark S. Tichenor、Richard L. Apodaca、Wei Xiao、William M. Jones、Mark Seierstad、Joan M. Pierce、James A. Palmer、Michael Webb、Mark J. Karbarz、Brian P. Scott、Sandy J. Wilson、Michelle L. Wennerholm、Michele Rizzolio、Raymond Rynberg、Sandra R. Chaplan、J. Guy Breitenbucher

  DOI：10.1016/j.bmcl.2016.05.001

  日期：2016.7

  The SAR of brain penetration for a series of heteroaryl piperazinyl- and piperadinyl-urea fatty acid amide hydrolase (FAAH) inhibitors is described. Brain/plasma (B/P) ratios ranging from >4: 1 to as low as 0.02: 1 were obtained through relatively simple structural changes to various regions of the heteroaryl urea scaffold. It was not possible to predict the degree of central nervous system (CNS) penetration from the volumes of distribution (V-d) obtained from pharmacokinetic (PK) experiments as very high V(d)s did not correlate with high B/P ratios. Similarly, calculated topological polar surface areas (TPSAs) did not consistently correlate with the degree of brain penetration. The lowest B/P ratios were observed for those compounds that were significantly ionized at physiological pH. However, as this class of compounds inhibits the FAAH enzyme through covalent modification, low B/P ratios did not preclude effective central target engagement. (C) 2016 Elsevier Ltd. All rights reserved.
• Granoth,I. et al., Journal of the Chemical Society. Perkin transactions I, 1973, p. 1972 - 1974
  作者：Granoth,I. et al.

  DOI：——

  日期：——