3,5-dibenzyloxyphenyl iodide | 130723-76-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,5-dibenzyloxyphenyl iodide
• 英文别名: 1,3-bis(benzyloxy)-5-iodobenzene；3,5-dibenzyloxyiodobenzene；1-iodo-3,5-bis(phenylmethoxy)benzene
• CAS: 130723-76-1
• 化学式: C₂₀H₁₇IO₂
• 分子量: 416.258
• InChiKey: BEOMAMYINSVUQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-dibenzyloxyphenyl iodide 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 水 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 12.0h， 生成 (+)-(S)-3,3'-bis{2-[3,5-bis(benzyloxy)phenyl]ethynyl}-1,1'-binaphthalene-2,2'-diol
  参考文献：
  名称：

  用于吡喃糖苷分子识别的树枝状 1,1'-联萘衍生裂隙型受体 (Dendroclefts)

  摘要：

  通过将 Frechet 型树突通过乙炔二基连接体连接到由一个或两个 1,1'-binaphthalene-2,2'-diyl phosphate 组成的核心上，制备了两个系列用于碳水化合物识别的光学活性裂隙型树突受体 (dendroclefts)部分。预计糖底物将通过两个 OH 基团的双齿离子 H 键与磷酸二酯核心结合，此外，与周围树枝状楔的芳香环发生范德华和 CH···π 相互作用。用单个联萘合成树突受体 G-1-(S)-1、G-2-(S)-2 和 G-3-(S)-3（图 1；Gx=树突生成）核心从 3,3'-二乙炔基化的 MOM 保护 (MOM=methoxymethyl) 1,1'-binaphthalene-2 开始，2'-二醇 (S)-13，第 1-3 代的 Frechet 型树突通过 Sonogashira 交叉偶联连接（方案 3）。MOM-醚脱保护，然后形成磷酸二酯和离子交换

  DOI：

  10.1002/1522-2675(20000705)83:7<1346::aid-hlca1346>3.0.co;2-3
• 作为产物：
  描述：

  3,5-二甲氧基碘苯 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 65.0h， 生成 3,5-dibenzyloxyphenyl iodide
  参考文献：
  名称：

  [EN] SHIP1 MODULATORS AND METHODS RELATED THERETO
  [FR] MODULATEURS DE SHIP1 ET PROCÉDÉS ASSOCIÉS

  摘要：

  公开号：

  WO2014110036A4

文献信息

• Heterocyclic derivatives
  申请人：Imperial Chemical Industries PLC

  公开号：US05098930A1

  公开（公告）日：1992-03-24

  The invention concerns a heterocyclic derivative of the formula I, ##STR1## wherein Ar.sup.1 is optionally substituted phenyl or naphthyl; A.sup.1 is (1-6C)alkylene, (3-6C)alkenylene, (3-6C)alkynylene or cyclo-(3-6C)alkylene; Ar.sup.2 is optionally substituted phenylene, or a 6 membered heterocyclene moiety containing up to three nitrogen atoms; R.sup.1 is hydrogen, (1-6C)alkyl, (3-6C)alkenyl, (3-6C)alkynyl, cyano-(1-4C)alkyl or (2-4C)alkanoyl, or optionally substituted benzoyl; and R.sup.2 and R.sup.3 together form a group of the formula -A.sup.2 -X-A.sup.3 - wherein each of A.sup.2 and A.sup.3 is (1-4C)alkylene and X is oxy, thio, sulphinyl, sulphonyl or imino; or a pharmaceutically-acceptable salt thereof. The compounds of the invention are inhibitors of the enzyme 5-lipoxygenase.

  该发明涉及式I的杂环衍生物，其中Ar.sup.1是可选择取代的苯基或萘基；A.sup.1是(1-6C)烷基，(3-6C)烯基，(3-6C)炔基或环-(3-6C)烷基；Ar.sup.2是可选择取代的苯基，或含有最多三个氮原子的6元杂环基；R.sup.1是氢，(1-6C)烷基，(3-6C)烯基，(3-6C)炔基，氰基-(1-4C)烷基或(2-4C)烷酰基，或可选择取代的苯甲酰基；而R.sup.2和R.sup.3共同形成式-A.sup.2-X-A.sup.3-的基团，其中A.sup.2和A.sup.3中的每一个是(1-4C)烷基，X是氧，硫，亚硫酰基，磺酰基或亚胺基；或其药用可接受盐。该发明的化合物是5-脂氧合酶的抑制剂。
• Isoquinoline derivatives suitable for use in leukotriene mediated disease
  申请人：Zeneca Limited

  公开号：US05401751A1

  公开（公告）日：1995-03-28

  The invention concerns a heterocycle of the formula I ##STR1## wherein Q is an optionally substituted 6-membered monocyclic or 10-membered bicyclic heterocyclic moiety containing one or two nitrogen atoms; A is (1-6C)alkylene, (3-6C)alkenylene, (3-6C)alkynylene or cyclo(3-6C)alkylene; X is oxy, thio, sulphinyl, sulphonyl or imino; Ar is phenylene which may optionally bear one or two substituents or Ar is an optionally substituted 6-membered heterocyclene moiety containing up to three nitrogen atoms; R.sup.1 is hydrogen, (1-6C)alkyl, (3-6C)alkenyl, (3-6C)alkynyl, cyano-(1-4C)alkyl or (2-4C)alkanoyl, or optionally substituted benzoyl; and R.sup.2 and R.sup.3 together form a group of the formula --A.sup.2 --X.sup.2 --A.sup.3 -- which, together with the carbon atom to which A.sup.2 and A.sup.3 are attached, defines a ring having 4 to 7 ring atoms, wherein A.sup.2 and A.sup.3, which may be the same or different, each is (1-4C)alkylene and X.sup.2 is oxy, thio, sulphinyl, sulphonyl or imino; or a pharmaceutically-acceptable salt thereof. The compounds of the invention are inhibitors of the enzyme 5-lipoxygenase.

  该发明涉及公式I的杂环化合物：##STR1## 其中，Q是含有一个或两个氮原子的可选取代的6元单环或10元二环杂环基；A是(1-6C)烷基，(3-6C)烯基，(3-6C)炔基或cyclo(3-6C)烷基；X是氧，硫，亚磺酰基，磺酰基或亚胺基；Ar是苯基，可以选择带有一个或两个取代基，或者Ar是可选取代的含有最多三个氮原子的6元杂环基；R.sup.1是氢，(1-6C)烷基，(3-6C)烯基，(3-6C)炔基，氰基-(1-4C)烷基或(2-4C)烷酰基，或者是可选取代的苯甲酰基；R.sup.2和R.sup.3共同形成一个式子--A.sup.2 --X.sup.2 --A.sup.3 --的基团，与A.sup.2和A.sup.3连接的碳原子一起定义具有4至7个环原子的环，其中A.sup.2和A.sup.3，可以相同也可以不同，每个都是(1-4C)烷基，X.sup.2是氧，硫，亚磺酰基，磺酰基或亚胺基；或其药学上可接受的盐。该发明的化合物是5-脂氧合酶酶的抑制剂。
• Quinoxalinyl derivatives suitable for use in leukotriene mediated disease
  申请人：Imperial Chemical Industries PLC

  公开号：US05236919A1

  公开（公告）日：1993-08-17

  The invention concerns a heterocycle of the formula I ##STR1## wherein Q is an optionally substituted 6-membered monocyclic or 10-membered bicyclic heterocyclic moiety containing one or two nitrogen atoms; A is (1-6C)alkylene, (3-6C)alkenylene, (3-6C)alkynylene or cyclo(3-6C)alkylene; X is oxy, thio, sulphinyl, sulphonyl or imino; Ar is phenylene which may optionally bear one or two substituents or Ar is an optionally substituted 6-membered heterocyclene moiety containing up to three nitrogen atoms; R.sup.1 is hydrogen, (1-6C)alkyl, (3-6C)alkenyl, (3-6C)alkynyl, cyano-(1-4C)alkyl or (2-4C)alkanoyl, or optionally substituted benzoyl; and R.sup.2 and R.sup.3 together form a group of the formula --A.sup.2 --X.sup.2 --A.sup.3 -- which, together with the carbon atom to which A.sup.2 and A.sup.3 are attached, defines a ring having 4 to 7 ring atoms, wherein A.sup.2 and A.sup.3, which may be the same or different, each is (1-4C)alkylene and X.sup.2 is oxy, thio, sulphinyl, sulphonyl or imino; or a pharmaceutically-acceptable salt thereof. The compounds of the invention are inhibitors of the enzyme 5-lipoxygenase.

  本发明涉及一种公式I的杂环化合物：##STR1## 其中，Q是一个含有一个或两个氮原子的可选取代的6元单环或10元双环杂环基团；A是(1-6C)烷基，(3-6C)烯基，(3-6C)炔基或环(3-6C)烷基；X是氧，硫，亚砜，磺酰或亚胺基；Ar是苯基，它可以可选地带有一个或两个取代基，或Ar是一个含有最多三个氮原子的可选取代的6元杂环基团；R1是氢，(1-6C)烷基，(3-6C)烯基，(3-6C)炔基，氰基-(1-4C)烷基或(2-4C)酰基，或可选取代的苯甲酰基；R2和R3一起形成一个公式--A2--X2--A3--的基团，它与A2和A3所连接的碳原子一起定义了一个具有4到7个环原子的环，其中A2和A3，可以相同也可以不同，每个都是(1-4C)烷基，X2是氧，硫，亚砜，磺酰或亚胺基；或其药学上可接受的盐。本发明的化合物是5-脂氧酶酶的抑制剂。
• Heterocycles for use as inhibitors of leukotrienes
  申请人：Imperial Chemical Industries PLC

  公开号：US05134148A1

  公开（公告）日：1992-07-28

  The invention concerns a heterocycle of the formula I ##STR1## wherein Q is an optionally substituted 6-membered monocyclic or 10-membered bicyclic heterocyclic moiety containing one or two nitrogen atoms; A is (1-6C)alkylene, (3-6C)alkenylene, (3-6C)alkynylene or cyclo(3-6C)alkylene; X is oxy, thio, sulphinyl, sulphonyl or imino; Ar is phenylene which may optionally bear one or two substituents or Ar is an optionally substituted 6-membered heterocyclene moiety containing up to three nitrogen atoms; R.sup.1 is hydrogen, (1-6C)alkyl, (3-6C)alkenyl, (3-6C)alkynyl, cyano-(1-4C)alkyl or (2-4C)alkanoyl, or optionally substituted benzoyl; and R.sup.2 and R.sup.3 together form a group of the formula --A.sup.2 --X.sup.2 --A.sup.3 -- which, together with the carbon atom to which A.sup.2 and A.sup.3 are attached, defines a ring having 4 to 7 ring atoms, wherein A.sup.2 and A.sup.3, which may be the same or different, each is (1-4C)alkylene and X.sup.2 is oxy, thio, sulphinyl, sulphonyl or imino; or a pharmaceutically-acceptable salt thereof. The compounds of the invention are inhibitors of the enzyme 5-lipoxygenase.

  本发明涉及一种公式I的杂环化合物：##STR1## 其中Q是含有一个或两个氮原子的可选取代的6元单环或10元双环杂环基团；A是(1-6C)烷基，(3-6C)烯基，(3-6C)炔基或环(3-6C)烷基；X是氧，硫，亚砜，磺酰或亚胺基；Ar是苯基，可选择带有一个或两个取代基，或Ar是可选取代的含有最多三个氮原子的6元杂环基团；R.sup.1是氢，(1-6C)烷基，(3-6C)烯基，(3-6C)炔基，氰基-(1-4C)烷基或(2-4C)酰基，或可选取代的苯甲酰基；R.sup.2和R.sup.3共同形成一个公式--A.sup.2--X.sup.2--A.sup.3--的基团，其中A.sup.2和A.sup.3，可以相同也可以不同，每个都是(1-4C)烷基，X.sup.2是氧，硫，亚砜，磺酰或亚胺基；或其药学上可接受的盐。本发明的化合物是5-脂氧合酶酶的抑制剂。
• SHIP1 MODULATORS AND METHODS RELATED THERETO
  申请人：AQUINOX PHARMACEUTICALS (CANADA) INC.

  公开号：US20150336935A1

  公开（公告）日：2015-11-26

  Compounds of formula (I): where, n, R 1 , R 4a , R 4b , R 5 , R 7 and R 8 are defined herein, or pharmaceutically acceptable salts thereof, are described herein. The disclosed compounds have activity as SHIP1 modulators, and thus may be used to treat any of a variety of diseases, disorders or conditions that would benefit from SHIP1 modulation. Compositions comprising a compound of formula (I) in combination with a pharmaceutically acceptable carrier or diluent are also disclosed, as are methods of SHIP1 modulation by administration of such compounds to an animal in need thereof.

  公式（I）的化合物：其中，n，R1，R4a，R4b，R5，R7和R8的定义如本文所述，或其药学上可接受的盐，在此处进行描述。所披露的化合物具有SHIP1调节剂的活性，因此可用于治疗任何需要SHIP1调节的多种疾病，疾病或状况。本文还披露了包含公式（I）化合物与药学上可接受的载体或稀释剂组合的组合物，以及通过向需要此类化合物的动物施用来进行SHIP1调节的方法。