1-hydroxyethyl-2,2'-biimidazole | 37570-91-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-hydroxyethyl-2,2'-biimidazole
• 英文别名: N-hydroxyethyl-2,2'-biimidazole；2-(1'H-[2,2']biimidazolyl-1-yl)-ethanol；1-(β-Hydroxyaethyl)-2,2'-biimidazol；2-(1H,1'H-[2,2'-biimidazol]-1-yl)ethanol；2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethanol
• CAS: 37570-91-5
• 化学式: C₈H₁₀N₄O
• 分子量: 178.194
• InChiKey: BRUYPAAHVZEIKK-UHFFFAOYSA-N

物化性质

• 熔点：
  134-136 °C(Solv: water (7732-18-5))
• 沸点：
  485.7±47.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-hydroxyethyl-2,2'-biimidazole 、 氢溴酸 以83%的产率得到
  参考文献：
  名称：

  MELLONI P.; FUSAR-BASSINI D.; DRADI E.; CONFALONIERI C., J. HETEROCYCL. CHEM., 1974, 11, NO 5, 731-735

  摘要：

  DOI：
• 作为产物：
  描述：

  联咪唑 、 2-氯乙醇 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 1-hydroxyethyl-2,2'-biimidazole
  参考文献：
  名称：

  1-Hydroxyethyl-2,2'-biimidazole

  摘要：

  The two imidazole rings in the title compound, C8H10N4O, are almost coplanar, having an angle of 2.3 (2)degrees about the C-C bond connecting the rings, The conformation adopted is such that the nitrogen substituents (-H and -CH2CH2OH) are in a trans orientation. The molecules are connected by intermolecular O--H ... O and N--H ... N hydrogen bonds to yield an arrangement of pairs of molecules reminiscent of side-by-side stacks of crinkled ribbon.

  DOI：

  10.1107/s0108270198017387

文献信息

• Synthesis and cytotoxicity of new Pt(IV) complexes of 2,2′-biimidazole and derivatives
  作者：José S. Casas、Alfonso Castiñeiras、Yolanda Parajó、Agustín Sánchez、Ángeles Sánchez-González、José Sordo

  DOI：10.1016/j.poly.2005.04.008

  日期：2005.7

  Compounds of type [PtCl4(LL)] [LL = 2,2'-biimidazole (H(2)bim); N-methyl-2,2'-biimidazole (MeHbim); N-hydroxyethyl-2,2'-biimidazole (HOEtHbim); or N,N'-dimethyl-2,2'-biimidazole (Me(2)bim)] were prepared and characterized. The structure of [PtCl4(Me(2)bim)] was determined by X-ray diffractometry. The crystal consists of discrete [PtCl4(Me(2)bim)] units in which the Pt atom is coordinated to the four Cl atoms and to the unmethylated N atoms in a distorted octahedral environment. Spectroscopic data suggest that all the other complexes have similar structures. The complexes of H(2)bim, MeHbim and Me(2)bim showed cytotoxic activity against both human ovarian carcinoma A2780 and the corresponding cisplatin-resistant line, A2780cis. (c) 2005 Elsevier Ltd. All rights reserved.
• MELLONI P.; METELLI R.; FUSAR BASSINI D.; CONFALONIERI C.; LOGEMANN W.; C+, ARZNEIMITTEL-FORSCH. <ARZN-AD>, 1975, 25, NO 1, 9-14
  作者：MELLONI P.、 METELLI R.、 FUSAR BASSINI D.、 CONFALONIERI C.、 LOGEMANN W.、 C+

  DOI：——

  日期：——
• 1-Hydroxyethyl-2,2'-biimidazole
  作者：G. Lin、H. Collier、R. G. Baughman

  DOI：10.1107/s0108270198017387

  日期：1999.3.15

  The two imidazole rings in the title compound, C8H10N4O, are almost coplanar, having an angle of 2.3 (2)degrees about the C-C bond connecting the rings, The conformation adopted is such that the nitrogen substituents (-H and -CH2CH2OH) are in a trans orientation. The molecules are connected by intermolecular O--H ... O and N--H ... N hydrogen bonds to yield an arrangement of pairs of molecules reminiscent of side-by-side stacks of crinkled ribbon.
• MELLONI P.; FUSAR-BASSINI D.; DRADI E.; CONFALONIERI C., J. HETEROCYCL. CHEM., 1974, 11, NO 5, 731-735
  作者：MELLONI P.、 FUSAR-BASSINI D.、 DRADI E.、 CONFALONIERI C.

  DOI：——

  日期：——