(4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)(tetrahydroyran-4-yl)acetic acid methyl ester | 1093191-49-1

• 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-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)(tetrahydroyran-4-yl)acetic acid methyl ester
• 英文别名: [4-(4-Morpholin-4-ylmethyl-phenylethynyl)-benzoylamino]-(tetrahydro-pyran-4-yl)-acetic acid methyl ester；methyl 2-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzoyl]amino]-2-(oxan-4-yl)acetate
• CAS: 1093191-49-1
• 化学式: C₂₈H₃₂N₂O₅
• 分子量: 476.572
• InChiKey: MYPVDKVBNLENMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)(tetrahydroyran-4-yl)acetic acid methyl ester 在 水 、 三氟乙酸 、 盐酸 作用下， 以 水 、 乙腈 为溶剂， 反应 0.75h， 以53%的产率得到4-(4-(4-aminophenylbuta-1,3-diynyl)-N-(2-hydroxy-1-hydroxycarbamoylpropyl))benzamide hydrochloride
  参考文献：
  名称：

  WO2008/154642

  摘要：

  公开号：
• 作为产物：
  描述：

  4-碘苯甲醛 在 bis-triphenylphosphine-palladium(II) chloride lithium hydroxide 、 copper(l) iodide 、 O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 水 、 三乙酰氧基硼氢化钠 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.92h， 生成 (4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)(tetrahydroyran-4-yl)acetic acid methyl ester
  参考文献：
  名称：

  WO2008/154642

  摘要：

  公开号：

文献信息

• ANTIBACTERIAL AGENTS
  申请人：Moser Heinz E.

  公开号：US20100190766A1

  公开（公告）日：2010-07-29

  Antibacterial compounds of formula (I) are provided: as well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of such compounds.

  提供化学式(I)的抗菌化合物：以及其立体异构体，药学上可接受的盐，酯和前药；包含这些化合物的制药组合物；通过给予这些化合物的途径治疗细菌感染的方法；以及制备这些化合物的过程。
• Antibacterial agents
  申请人：Achaogen, Inc.

  公开号：EP2662353A2

  公开（公告）日：2013-11-13

  Antibacterial compounds of formula (I) are provided, as well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of such compounds.

  提供了式 (I) 的抗菌化合物及其立体异构体、药学上可接受的盐、酯和原药；包含此类化合物的药物组合物；通过服用此类化合物治疗细菌感染的方法；以及制备此类化合物的工艺。
• LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING
  申请人：Urano Toshiyuki

  公开号：US20120193617A1

  公开（公告）日：2012-08-02

  A subject for the invention is to provide compounds where a film formation can be made by a wet film formation method, a heating temperature at the film formation is low, the film formed therefrom has high stability, and the other layers can be laminated thereon by a wet film formation method or another method. The compounds are usable as a material for electronic device which decreases little in charge transport efficiency or luminescent efficiency and which have excellent driving stability. The invention resides in a compound and a polymer which are characterized by having a elimination group of a specific structure and in an organic compound characterized by having a elimination group having a low elimination temperature.
• US9617256B2
  申请人：——

  公开号：US9617256B2

  公开（公告）日：2017-04-11
• WO2008/154642
  申请人：——

  公开号：——

  公开（公告）日：——