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2-allylimidazole | 50995-97-6

中文名称
——
中文别名
——
英文名称
2-allylimidazole
英文别名
2-prop-2-enyl-1H-imidazole
2-allylimidazole化学式
CAS
50995-97-6
化学式
C6H8N2
mdl
MFCD18450315
分子量
108.143
InChiKey
WFGGATFAWQWKRI-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

计算性质

  • 辛醇/水分配系数(LogP):
    1.2
  • 重原子数:
    8
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.166
  • 拓扑面积:
    28.7
  • 氢给体数:
    1
  • 氢受体数:
    1

反应信息

  • 作为产物:
    描述:
    2-allyl-1,3-bis<(1-chloroethoxy)carbonyl>-4-imidazoline氢氧化钾 、 potassium hexacyanoferrate(III) 作用下, 以 1,4-二氧六环 为溶剂, 反应 1.0h, 以78%的产率得到2-allylimidazole
    参考文献:
    名称:
    Allylation of azoles with allyltributyltin via unstable N-(alkoxycarbonyl)azolium salts
    摘要:
    The one-pot reactions of imidazoles with allyltributyltin in the presence of alkyl chloroformates gave 2-allyl-1,3-bis(alkoxycarbonyl)-4-imidazolines in good yields. The reactions of thiazoles and oxazoles also proceeded in a similar manner. The instability of the intermediary quaternary salts required the nucleophiles to be added simultaneously with the chloroformate. Therefore, the reaction was specific for allyltributyltin, since it doesn't react with the carbonyl group of chloroformates. The dihydro allyl adducts thus obtained were aromatized with potassium ferricyanide under basic conditions to afford the corresponding 2-allylazoles.
    DOI:
    10.1021/jo00085a020
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文献信息

  • Macrocyclic compounds as inhibitors of viral replication
    申请人:Blatt M. Lawrence
    公开号:US20050267018A1
    公开(公告)日:2005-12-01
    The embodiments provide compounds of the general formulas I-XIX, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating flaviviral infection, including hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.
    该实施例提供了一般式I-XIX的化合物,以及包括药物组合在内的组合物,其中包括一种主体化合物。该实施例还提供了治疗方法,包括治疗黄病毒感染的方法,包括丙型肝炎病毒感染的方法和治疗肝纤维化的方法,这些方法通常涉及向需要的个体施用一种主体化合物或组合物的有效量。
  • Method of Fabricating Glycol Monoalkyl Ether Acetate Using Acidic Ionic Liquid Catalyst
    申请人:Wu Jung-Chung
    公开号:US20110184207A1
    公开(公告)日:2011-07-28
    A new method for fabricating glycol monoalkyl ether acetate (GMAEA) is provided. A Bronsted acidic ionic liquid is used. After some reactions, two layers of materials are formed. A product of GMAEA is obtained at the upper layer. The lower layer is the ionic liquid. Thus, the ionic liquid is reusable for re-fabricating the product. And, furthermore, waste acid is reduced.
    提供了一种制备甘醇单烷基醚醋酸酯(GMAEA)的新方法。使用了一种Brønsted酸性离子液体。经过一些反应,形成了两层材料。在上层获得了GMAEA的产物。下层是离子液体。因此,离子液体可用于再次制备产品。此外,废酸也得到了减少。
  • [EN] IONIC LIQUID SOLVENTS<br/>[FR] SOLVANTS LIQUIDES IONIQUES
    申请人:UNIV DUBLIN CITY
    公开号:WO2010097412A1
    公开(公告)日:2010-09-02
    A chiral ionic compound comprising an alkyl substituted imidazolium or pyridinium cationic core having an alkyl ester side chain (-alkyl-C(O)O-) directly linked to the core and an associated counter anion, characterized in that the -O- atom of the ester side chain is linked to an alpha, a beta or a gamma hydroxycarboxylic acid functionality via the alpha, beta or gamma hydroxy of the acid functionality and the hydroxycarboxylic acid functionality has at least one asymmetric carbon, or characterized in that an -N= atom of the alkyl substituted imidazolium or pyridinium cationic core is substituted with an alpha, a beta or a gamma hydroxy group of a alpha, a beta or a gamma hydroxycarboxylic acid functionality and the hydroxycarboxylic acid functionality has at least one asymmetric carbon. The chiral ionic liquids (CILs) may be used as novel solvents, in particular for organic synthesis. The CILs have the potential to induce asymmetry into substrates or catalysts in a variety of organic transformations. A number of the compounds have low antimicrobial and low antifungal toxicities and are also biodegradable CILs.
    一种手性离子化合物,包括具有烷基取代的咪唑或吡啶阳离子核心,其具有直接连接到核心的烷基酯侧链(-烷基-C(O)O-)和相关的对应阴离子,其特征在于酯侧链的-O-原子通过α、β或γ羟基羧酸功能与羧酸功能的α、β或γ羟基相连,且羟基羧酸功能具有至少一个不对称碳,或者其特征在于烷基取代的咪唑或吡啶阳离子核心的-N=原子被α、β或γ羟基羧酸功能的α、β或γ羟基取代,且羟基羧酸功能具有至少一个不对称碳。这种手性离子液体(CILs)可用作新型溶剂,特别适用于有机合成。这些CILs有潜力在各种有机转化中向底物或催化剂引入不对称性。其中一些化合物具有低抗菌和低抗真菌毒性,并且也是可生物降解的CILs。
  • [EN] PHENYLNAPHTHYLIMIDAZOLES FOR USE ON COPPER SURFACES DURING SOLDERING<br/>[FR] PHÉNYLNAPHTHYLIMIDAZOLES EN VUE D'UNE UTILISATION SUR LES SURFACES EN CUIVRE AU COURS D'UN BRASAGE
    申请人:SHIKOKU CHEM
    公开号:WO2005121101A1
    公开(公告)日:2005-12-22
    A surface treating agent containing a novel phenylnaphthylimidazole compound represented by the following formula is brought into contact with the surface of copper or a copper alloy. In the formula, when A1 is a phenyl group, then A2 represents a 1-naphthyl group or a 2-naphthyl group, and when A1 is a 1-naphthyl group or a 2-naphthyl group, then A2 represents a phenyl group; and R represents a hydrogen atom or a methyl group.
    含有所述下列公式表示的新型苯基萘基咪唑啉化合物的表面处理剂与铜或铜合金的表面接触。在公式中,当A1是苯基时,A2代表1-萘基或2-萘基,当A1是1-萘基或2-萘基时,A2代表苯基;R代表氢原子或甲基。
  • [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
    申请人:SPEEDEL EXPERIMENTA AG
    公开号:WO2005090304A1
    公开(公告)日:2005-09-29
    The invention relates to novel amino alcohols of the general formula (I) where X, R1, R2, R3, R4, R5 and R6 are each as defined in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.
    这项发明涉及一般式(I)的新型氨基醇,其中X、R1、R2、R3、R4、R5和R6的定义详细描述在说明书中,以及它们的制备方法和将这些化合物用作药物,特别是作为肾素抑制剂。
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