2-(4-碘苯基)-噁唑 | 195436-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-碘苯基)-噁唑
• 中文别名: 2-(4-碘苯基)-恶唑
• 英文名称: 2-(4-iodophenyl)oxazole
• 英文别名: 4-iodophenyloxazoline；2-(4-iodophenyl)-1,3-oxazole
• CAS: 195436-88-5
• 化学式: C₉H₆INO
• mdl: MFCD04973402
• 分子量: 271.057
• InChiKey: BJNRAXNXFISPNV-UHFFFAOYSA-N

物化性质

• 沸点：
  315.4±44.0 °C(Predicted)
• 密度：
  1.773±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromo-9,9-dimethylxanthene-5-boronic acid 、 2-(4-碘苯基)-噁唑 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 6.0h， 以82%的产率得到2-[4-(5-Bromo-9,9-dimethylxanthen-4-yl)phenyl]-4,5-dihydro-1,3-oxazole
  参考文献：
  名称：

  Synthesis and Characterization of Silver and Palladium Complexes with Xanthene-Based N-Heterocyclic Carbene−Oxazoline Ligands

  摘要：

  We synthesized xanthenes substituted with two different donor ligand units, N-heterocyclic carbene (NHC) and oxazoline, by the sequential coupling reaction. Silver complexes 15 and 19 were prepared by the reaction between the xanthene derivatives and Ag2O. Pd complexes 16 and 20 were also synthesized by the reaction of the corresponding silver complexes with Pd(PhCN)(2)Cl-2. X-ray crystallographic analysis revealed that complexes 15-PF6, 16, and 20 adopted trans configurations, while the Ag atom of 15-Cl coordinated only to the NHC ligand.

  DOI：

  10.1021/om100673e
• 作为产物：
  描述：

  4-碘苯甲酰氯 在 甲烷磺酸 、 phosphorus pentoxide 、 potassium hydrogencarbonate 作用下， 以 丙酮 为溶剂， 反应 15.0h， 生成 2-(4-碘苯基)-噁唑
  参考文献：
  名称：

  2-取代恶唑的制备

  摘要：

  摘要 描述了一种简单经济的 2-取代恶唑合成方法及其适用范围。

  DOI：

  10.1081/scc-120006015

文献信息

• Diamine derivatives as inhibitors of leukotriene A4 hydrolase
  申请人：Arnaiz Damian

  公开号：US20070155726A1

  公开（公告）日：2007-07-05

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  这项发明涉及式(I)的化合物： 其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，可以是单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂合物、包合物、多型体、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病中有用。还公开了包括该发明化合物的药物组合物以及制备该发明化合物的方法。
• FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS
  申请人：REILLY Usa

  公开号：US20120232083A1

  公开（公告）日：2012-09-13

  The present invention is directed to a new class of hydroxamic acid derivatives, their use as LpxC inhibitors and, more specifically, their use to treat bacterial infections.

  本发明涉及一种新型羟羧酸衍生物的类别，其作为LpxC抑制剂的用途，更具体地说，其用于治疗细菌感染。
• DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE
  申请人：Celtaxsys, Inc.

  公开号：US20150080382A1

  公开（公告）日：2015-03-19

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  该发明涉及式（I）的化合物：其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，作为单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂化合物、包合物、多晶体、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此可用于治疗炎症性疾病。本发明还公开了包含该化合物的制药组合物以及制备该化合物的方法。
• Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase
  申请人：Arnaiz Damian

  公开号：US20100210630A1

  公开（公告）日：2010-08-19

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  本发明涉及化合物的公式(I)：其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，可以作为单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂合物、包合物、多晶体、铵离子、N-氧化物或前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病方面有用。本发明还公开了包含该化合物的制药组合物以及制备该化合物的方法。
• Methods for the preparation of biphenyl isoxazole sulfonamides
  申请人：Bristol-Myers Squibb Company

  公开号：US06313308B1

  公开（公告）日：2001-11-06

  Methods for the preparation of biphenyl isoxazole sulfonamides and intermediates therof. The present invention also relates to the novel intermediates prepared by these methods. The biphenyl isoxazole sulfonamides prepared by the present methods are endothelin antagonists useful, inter alia, for the treatment of hypertension, congestive heart failure and male erectile dysfunction.

  制备联苯异噁唑磺酰胺及其中间体的方法。本发明还涉及通过这些方法制备的新型中间体。通过本方法制备的联苯异噁唑磺酰胺是内皮素拮抗剂，可用于治疗高血压、充血性心力衰竭和男性勃起功能障碍等疾病。