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1-[3-tert-butyl-5-[4-(1H-pyrrol-2-yl)triazol-1-yl]phenyl]-4-(1H-pyrrol-2-yl)triazole | 1252020-47-5

中文名称
——
中文别名
——
英文名称
1-[3-tert-butyl-5-[4-(1H-pyrrol-2-yl)triazol-1-yl]phenyl]-4-(1H-pyrrol-2-yl)triazole
英文别名
——
1-[3-tert-butyl-5-[4-(1H-pyrrol-2-yl)triazol-1-yl]phenyl]-4-(1H-pyrrol-2-yl)triazole化学式
CAS
1252020-47-5
化学式
C22H22N8
mdl
——
分子量
398.47
InChiKey
OUBNIUJHRGNYAJ-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):
    3.4
  • 重原子数:
    30
  • 可旋转键数:
    5
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    93
  • 氢给体数:
    2
  • 氢受体数:
    4

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1-[3-tert-butyl-5-[4-(1H-pyrrol-2-yl)triazol-1-yl]phenyl]-4-(1H-pyrrol-2-yl)triazole丙酮三氟乙酸 、 sodium hydroxide 作用下, 反应 3.0h, 以10%的产率得到21,43-Ditert-butyl-10,10,32,32-tetramethyl-2,3,4,16,17,18,24,25,26,38,39,40,47,48,52,53-hexadecazaundecacyclo[39.3.1.12,5.16,9.111,14.115,18.119,23.124,27.128,31.133,36.137,40]tetrapentaconta-1(45),3,5(54),6,8,11,13,15(51),16,19(50),20,22,25,27(49),28,30,33,35,37(46),38,41,43-docosaene
    参考文献:
    名称:
    A Pyrrolyl-Based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions
    摘要:
    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO4- > H2PO4- > Cl- > Br- (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.
    DOI:
    10.1021/ja107098r
  • 作为产物:
    描述:
    sodium t-butanolate 作用下, 以 四氢呋喃 为溶剂, 以188 mg的产率得到1-[3-tert-butyl-5-[4-(1H-pyrrol-2-yl)triazol-1-yl]phenyl]-4-(1H-pyrrol-2-yl)triazole
    参考文献:
    名称:
    A Pyrrolyl-Based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions
    摘要:
    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO4- > H2PO4- > Cl- > Br- (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.
    DOI:
    10.1021/ja107098r
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文献信息

  • Structurally Characterized Cationic Silver(I) and Ruthenium(II) Carbene Complexes of 1,2,3-Triazol-5-ylidenes
    作者:Jiajia Cai、Xiaoping Yang、Kuppuswamy Arumugam、Christopher W. Bielawski、Jonathan L. Sessler
    DOI:10.1021/om200670f
    日期:2011.9.26
    function as an effective precursor for the synthesis of the first structurally characterized cationic silver(I) and ruthenium(II)carbene complexes of overall 1:2 ligand-to-metal stoichiometry. The Ag(I) complex crystallized in the form of an eight silver atom-containing cluster, whereas the Ru(II) complex proved to be a discrete species and was found to be capable of initiating the ring-opening metathesis
    发现一种新型的1,3,4-取代的1,2,3-三唑鎓盐可作为有效的前体,用于合成第一个结构特征为整体1:2的阳离子(I)和(II)卡宾配合物配体属的化学计量。Ag(I)络合物以八个含原子簇的形式结晶,而Ru(II)络合物被证明是一个离散的物种,并且发现能够在活化时引发降冰片烯的开环易位聚合(三甲基甲硅烷基)重氮甲烷
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