1-[1-(3,5-二甲基吡唑-1-基)乙基]-3,5-二甲基吡唑 | 61453-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-[1-(3,5-二甲基吡唑-1-基)乙基]-3,5-二甲基吡唑
• 英文名称: 1,1-Bis(3,5-dimethyl-1-pyrazolyl)ethan
• 英文别名: 3,5,3',5'-tetramethyl-1H,1'H-1,1'-ethane-1,1-diyl-bis-pyrazole；1H-Pyrazole, 1,1'-ethylidenebis[3,5-dimethyl-；1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
• CAS: 61453-46-1
• 化学式: C₁₂H₁₈N₄
• mdl: MFCD02044373
• 分子量: 218.302
• InChiKey: XGOAPIRHXNVLFQ-UHFFFAOYSA-N

物化性质

• 熔点：
  101 °C(Solv: heptane (142-82-5))
• 沸点：
  334.3±30.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  diethylboryl tosylate 、 1-[1-(3,5-二甲基吡唑-1-基)乙基]-3,5-二甲基吡唑 生成 diethyl-(3,5,3',5'-tetramethyl-1H,1'H-1,1'-ethane-1,1-diyl-bis-pyrazole-N²,N^2')-boron⁽¹⁺⁾; hexafluorophosphate
  参考文献：
  名称：

  Geminal poly(1-pyrazolyl)alkanes and their coordination chemistry

  摘要：

  DOI：

  10.1021/ja00720a021
• 作为产物：
  描述：

  3,5-Dimethyl-1-vinyl-1H-pyrazole 在 三氟化硼乙醚 、 二氧化硫 、 苄硫醇 、 对苯醌 作用下， 反应 14.0h， 生成 1-[1-(3,5-二甲基吡唑-1-基)乙基]-3,5-二甲基吡唑 、 1-(2-Benzylsulfanyl-ethyl)-3,5-dimethyl-1H-pyrazole 、 1-(1-Benzylsulfanyl-ethyl)-3,5-dimethyl-1H-pyrazole
  参考文献：
  名称：

  Interaction of 1-vinylpyrazoles with alkanethiols

  摘要：

  It was found that vinylpyrazoles react with thiols both according to ionic and according to free-radical mechanisms, with the formation of products of alpha- and beta-addition. Radical thiylation of 1-vinylpyrazoles is a convenient method of synthesis of pyrazoles with sulfur-containing substituents.

  DOI：

  10.1007/bf00864347

文献信息

• NEAR-INFRARED-ABSORBING COMPOSITION, NEAR-INFRARED CUT FILTER OBTAINED USING SAME, PROCESS FOR PRODUCING SAID CUT FILTER, CAMERA MODULE AND PROCESS FOR PRODUCING SAME, AND SOLID PHOTOGRAPHING ELEMENT
  申请人：FUJIFILM Corporation

  公开号：US20160178816A1

  公开（公告）日：2016-06-23

  Provided are a near-infrared-absorbing composition capable of forming a cured film having excellent heat resistance while maintaining high near-infrared-shielding properties, a near-infrared cut filter obtained using the same, a process for producing said cut filter, a camera module and a process for producing the same, and a solid photographing element. The near-infrared-absorbing composition includes a near-infrared-absorbing compound (A1) obtained from a reaction between a low-molecular-weight compound which has two or more coordination sites to a metal component or a coordination site to a metal component and a cross-linking group and has a molecular weight of 1800 or lower or a salt thereof and the metal component and a near-infrared-absorbing compound (B) obtained from a reaction between a high-molecular-weight compound having a repeating unit represented by Formula (II) below or a salt thereof and a metal component. In Formula (II), R 2 represents an organic group, Y 1 represents a single bond or a divalent linking group, and X 2 represents the coordination site to the metal component.
• Geminal poly(1-pyrazolyl)alkanes and their coordination chemistry
  作者：Swiatoslav Trofimenko

  DOI：10.1021/ja00720a021

  日期：1970.8
• Interaction of 1-vinylpyrazoles with alkanethiols
  作者：L. A. Es'kova、L. P. Erushnikova、A. V. Afonin、E. S. Domnina

  DOI：10.1007/bf00864347

  日期：1992.8

  It was found that vinylpyrazoles react with thiols both according to ionic and according to free-radical mechanisms, with the formation of products of alpha- and beta-addition. Radical thiylation of 1-vinylpyrazoles is a convenient method of synthesis of pyrazoles with sulfur-containing substituents.