摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

2-Phenyl-oxazol-4,5-dicarbonsaeure | 15926-44-0

中文名称
——
中文别名
——
英文名称
2-Phenyl-oxazol-4,5-dicarbonsaeure
英文别名
2-Phenyl-1,3-oxazole-4,5-dicarboxylic acid
2-Phenyl-oxazol-4,5-dicarbonsaeure化学式
CAS
15926-44-0
化学式
C11H7NO5
mdl
——
分子量
233.18
InChiKey
YRGAADYUKSMBJS-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    215 °C(Solv: ethyl acetate (141-78-6))
  • 沸点:
    506.0±60.0 °C(Predicted)
  • 密度:
    1.496±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    17
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    101
  • 氢给体数:
    2
  • 氢受体数:
    6

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    dimethyl 2-phenyloxazole-4,5-dicarboxylate 在 lithium hydroxide 作用下, 以 四氢呋喃 为溶剂, 以93%的产率得到2-Phenyl-oxazol-4,5-dicarbonsaeure
    参考文献:
    名称:
    A Rational Approach to the Design of Selective Substrates and Potent Nontransportable Inhibitors of the Excitatory Amino Acid Transporter EAAC1 (EAAT3). New Glutamate and Aspartate Analogues as Potential Neuroprotective Agents
    摘要:
    Two three-dimensional receptor interaction models for EAAT substrates and nontransportable inhibitors have been developed, and new glutamate (Glu) and aspartate (Asp) analogues have been synthesized. The analogues la and 3 represent novel lead compounds for the development of EAAT substrates and nontransportable inhibitors, selective for EAATs over iGluRs, as possible neuroprotective agents useful to minimize the progression of chronic or acute neurodegenerative diseases, The role played by the protonatable amine function in the interaction with EAATs has been discussed.
    DOI:
    10.1021/jm015509z
点击查看最新优质反应信息

文献信息

  • Studies on Seven-membered Ring Compounds. XXIII. Reactions of Tropylium Ions Having Fused Heterocyclic System with Various Amines
    作者:Nobuo Soma、Jun-ichi Nakazawa、Taiichiro Watanabe、Yoshio Sato、Genshun Sunagawa
    DOI:10.1248/cpb.15.627
    日期:——
    Reactions of tropylium ions having a fused heterocyclic system with various amines were examined. Reaction of 2-phenyloxazolotropylium monomethylsulfate (I) and 2-phenylthiazotropylium chloride (XXIV) with dimethylamine produced 2-phenyl-6-dimethylamino-6H-cycloheptoxazole (II) and 6-dimethylamino-2-phenyl-6H-cycloheptathiazole (XXV), respectively. Regarding the reaction with p-toluidine, both I and 1-p-tolyl-2-phenylimidazolotropylium chloride (XXVI) gave 1-p-tolyl-2-phenyl-1, 6-dihydrocycloheptimidazole (VI) and 1-p-tolyl-2-phenyl-6-p-tolylimino-1, 6-dihydrocycloheptimidazole (VII). Reaction of I with N-methylaniline produced 2-phenyl-6-p-methylaminophenyl-6H-cycloheptoxazole (XIX) and 2-phenyl-4-p-methylaminophenyl-4H-cycloheptoxazole (XX). From these results, it is concluded that the tropylium ions condensing a heterocycle has a priority for amination at C-6.
    研究了具有融合杂环体系的托品鎓离子与各种胺的反应。2- 苯并恶唑丙基鎓一甲基硫酸盐(I)和 2- 苯并噻唑丙基鎓氯化物(XXIV)与二甲胺反应,分别生成了 2-苯基-6-二甲氨基-6H-环庚恶唑(II)和 6-二甲氨基-2-苯基-6H-环庚硫唑(XXV)。至于与对甲苯胺的反应,I 和 1-对甲苯基-2-苯基咪唑基氯化铵(XXVI)都得到了 1-对甲苯基-2-苯基-1,6-二氢环庚基咪唑(VI)和 1-对甲苯基-2-苯基-6-对甲苯基咪唑基-1,6-二氢环庚基咪唑(VII)。I 与 N-甲基苯胺反应生成了 2-苯基-6-对甲氨基苯基-6H-环庚恶唑(XIX)和 2-苯基-4-对甲氨基苯基-4H-环庚恶唑(XX)。从这些结果中可以得出结论,托品鎓离子缩合杂环时优先在 C-6 处进行胺化。
  • A Rational Approach to the Design of Selective Substrates and Potent Nontransportable Inhibitors of the Excitatory Amino Acid Transporter EAAC1 (EAAT3). New Glutamate and Aspartate Analogues as Potential Neuroprotective Agents
    作者:Giuseppe Campiani、Meri De Angelis、Silvia Armaroli、Caterina Fattorusso、Bruno Catalanotti、Anna Ramunno、Vito Nacci、Ettore Novellino、Christof Grewer、Diana Ionescu、Thomas Rauen、Roger Griffiths、Colin Sinclair、Elena Fumagalli、Tiziana Mennini
    DOI:10.1021/jm015509z
    日期:2001.8.1
    Two three-dimensional receptor interaction models for EAAT substrates and nontransportable inhibitors have been developed, and new glutamate (Glu) and aspartate (Asp) analogues have been synthesized. The analogues la and 3 represent novel lead compounds for the development of EAAT substrates and nontransportable inhibitors, selective for EAATs over iGluRs, as possible neuroprotective agents useful to minimize the progression of chronic or acute neurodegenerative diseases, The role played by the protonatable amine function in the interaction with EAATs has been discussed.
查看更多

同类化合物

伊莫拉明 (5aS,6R,9S,9aR)-5a,6,7,8,9,9a-六氢-6,11,11-三甲基-2-(2,3,4,5,6-五氟苯基)-6,9-甲基-4H-[1,2,4]三唑[3,4-c][1,4]苯并恶嗪四氟硼酸酯 (5-氨基-1,3,4-噻二唑-2-基)甲醇 齐墩果-2,12-二烯[2,3-d]异恶唑-28-酸 黄曲霉毒素H1 高效液相卡套柱 非昔硝唑 非布索坦杂质Z19 非布索坦杂质T 非布索坦杂质K 非布索坦杂质E 非布索坦杂质67 非布索坦杂质65 非布索坦杂质64 非布索坦杂质61 非布索坦代谢物67M-4 非布索坦代谢物67M-2 非布索坦代谢物 67M-1 非布索坦-D9 非布索坦 非唑拉明 雷西纳德杂质H 雷西纳德 阿西司特 阿莫奈韦 阿米苯唑 阿米特罗13C2,15N2 阿瑞匹坦杂质 阿格列扎 阿扎司特 阿尔吡登 阿塔鲁伦中间体 阿培利司N-1 阿哌沙班杂质26 阿哌沙班杂质15 阿可替尼 阿作莫兰 阿佐塞米 镁(2+)(Z)-4'-羟基-3'-甲氧基肉桂酸酯 锌1,2-二甲基咪唑二氯化物 铵2-(4-氯苯基)苯并恶唑-5-丙酸盐 铬酸钠[-氯-3-[(5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)偶氮]-2-羟基苯磺酸基][4-[(3,5-二氯-2-羟基苯 铁(2+)乙二酸酯-3-甲氧基苯胺(1:1:2) 钠5-苯基-4,5-二氢吡唑-1-羧酸酯 钠3-[2-(2-壬基-4,5-二氢-1H-咪唑-1-基)乙氧基]丙酸酯 钠3-(2H-苯并三唑-2-基)-5-仲-丁基-4-羟基苯磺酸酯 钠(2R,4aR,6R,7R,7aS)-6-(2-溴-9-氧代-6-苯基-4,9-二氢-3H-咪唑并[1,2-a]嘌呤-3-基)-7-羟基四氢-4H-呋喃并[3,2-D][1,3,2]二氧杂环己膦烷e-2-硫醇2-氧化物 野麦枯 野燕枯 醋甲唑胺