1-丙基四唑 | 108825-41-8

• 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-丙基四唑
• 英文名称: 1-propyltetrazole
• 英文别名: 1-propyl-1H-tetrazole
• CAS: 108825-41-8
• 化学式: C₄H₈N₄
• 分子量: 112.134
• InChiKey: AHYVTIGFFGLKHA-UHFFFAOYSA-N

物化性质

• 沸点：
  198.3±23.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 1-丙基四唑 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Degtyarik, M. M.; Gaponik, P. N.; Lesnikovich, A. I., Journal of general chemistry of the USSR, 1985, vol. 55, p. 457 - 461

  摘要：

  DOI：
• 作为产物：
  描述：

  正丁醛 在 zinc(II) chloride 三甲基乙炔基硅 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以78%的产率得到1-丙基四唑
  参考文献：
  名称：

  叠氮化三甲基甲硅烷基与醛的反应：叠氮化物，四唑和腈的便捷合成

  摘要：

  发现叠氮化三甲基甲硅烷基（TMSA）与各种醛的反应是合成宝石-和1,3-二叠氮化物，四唑和腈的通用方法，通过控制TMSA，催化剂和二甲基亚砜的量可以改变它们的形成。反应条件。

  DOI：

  10.1016/s0040-4020(01)90003-1

文献信息

• Microwave alkylation of lithium tetrazolate
  作者：Danny Müller、Christian Knoll、Peter Weinberger

  DOI：10.1007/s00706-016-1867-7

  日期：2017.1

  ABSTRACT: N1-substituted tetrazoles are interesting ligands in transition metal coordination chemistry, especially in the field of spin crossover. Their synthesis is performed in most cases according to the Franke-synthesis, using a primary amine as reagent introducing the substitution pattern. To enhance flexibility in means of substrate scope, we developed a new protocol based on alkylation of lithium

  摘要：在过渡金属配位化学中，N1取代的四唑是有趣的配体，特别是在自旋交联领域。在大多数情况下，它们的合成是根据弗兰克合成法进行的，使用伯胺作为引入取代模式的试剂。为了提高底物范围的灵活性，我们开发了一种新的协议，该协议基于四唑酸锂与烷基溴的烷基化。通过使用高纯四唑酸锂和30％（体积）乙醇水溶液作为溶剂，成功抑制了烷基化过程中四唑的N1-N2异构现象，得到了纯的N1取代产物。通过选择不同的底物证明了该反应的可行性。图形概要：
• Refinement of Copper(II) Azide with 1‐Alkyl‐5 <i>H</i> ‐tetrazoles: Adaptable Energetic Complexes
  作者：Maximilian H. H. Wurzenberger、Marcus Lommel、Michael S. Gruhne、Norbert Szimhardt、Jörg Stierstorfer

  DOI：10.1002/anie.202002823

  日期：2020.7.20

  the synthesis. It is demonstrated, using the compound based on 1‐methyl‐5H‐tetrazole ([Cu(N3)2(MTZ)], 1 ) that this class of complexes can be applied as a potential replacement for both lead azide (LA) and lead styphnate (LS). The complex was extensively investigated according to its chemical (elemental analysis, single‐crystal and powder X‐ray diffraction, IR spectroscopy, scanning electron microscopy)

  描述了用 1-N 取代的四唑稳定高度敏感和爆炸性叠氮化铜 (II) 的概念。通过使用高吸热、富氮配体可以稳定系统。所得到的高能铜配位化合物的灵敏度可以通过配体烷基链的变化以及在合成过程中用经典添加剂对配合物进行减敏来进一步调节。结果表明，使用基于 1-甲基-5 H-四唑 ([Cu(N 3 ) 2 (MTZ)], 1 ) 的化合物，此类配合物可用作叠氮化铅 (LA ）和斯蒂夫酸铅（LS）。根据其化学（元素分析、单晶和粉末 X 射线衍射、红外光谱、扫描电子显微镜）和物理化学性质（差热分析、对冲击、摩擦和静电放电的敏感性）对该配合物进行了广泛研究与纯叠氮化铜(II) 相比。
• Tetrazoles as ligands. Part IV. Iron(II) complexes of monofunctional tetrazole ligands, showing high-spin (p5T2g) ⇋ low-spin transitions
  作者：Peter L. Franke、Jaap G. Haasnoot、Adrianus P. Zuur

  DOI：10.1016/s0020-1693(00)87299-0

  日期：1982.1

  tetrazoles and iron(III) tetrafluoroborate lead to the formation of hexacoordinated iron(II) complexes, viz. : [FeL 6 ](BF 4 ) 2 with L = 1-methyltetrazole (MTZ), 1-ethyltetrazole (ETZ), 1-propyltetrazole (PTZ) and 1-isopropyltetrazole (IPTZ). The complexes were identified and characterized by elemental analyses, IR and ligand field spectra and magnetic susceptibility measurements. The iron(II) ions are

  摘要1-烷基取代的四唑和四氟硼酸铁（III）导致六配位铁（II）配合物的形成，即。：具有L ＝ 1-甲基四唑（MTZ），1-乙基四唑（ETZ），1-丙基四唑（PTZ）和1-异丙基四唑（IPTZ）的[FeL 6]（BF 4）2。通过元素分析，IR和配体场谱以及磁化率测量来鉴定和表征复合物。铁（II）离子被单齿配体八面体包围，并且明显形成单核络合物。在140-80 K的温度范围内，复合物显示出高自旋（5 T 2g）⇋低自旋（1 A 1g）的转变，可以通过从白色到紫色的颜色变化来识别。在过渡之后进行磁测量。
• Polymer-Supported Fe-Phthalocyanine Derived Heterogeneous Photo-Catalyst for the Synthesis of Tetrazoles Under Visible Light Irradiation
  作者：Vijay Baburao Khajone、Kamlesh Rudreshwar Balinge、Pundlik Rambhau Bhagat

  DOI：10.1007/s10562-020-03461-z

  日期：2021.7

  Herein, a polymer supported Fe-Phthalocyanine entangled with carboxyl functionalized benzimidazolium moiety (PSFePcCFBM) explored as heterogenous photocatalyst, for regioselective synthesis of 1H-tetrazoles from sodium azide and other affordable substrates. The PSFePcCFBM displayed good to excellent yield of the product (79-91%) under visible light (5 W) irradiations using home-made photoreactor. The NaN3 acts as a nitrogen donor of tetrazoles ring as well as it convert aldehyde into isocyanide as one of the nitrogen sources. The catalyst could be recycled up to 5th run successfully without altering its catalytic activity. The small amount of the catalyst loading, extensive substrate range, ease of separation of the catalyst by simple filtration, less reaction time, simple workup procedure, and excellent product yield are the salient features of the investigated protocol.
• EPR of hexakis(1-propyltetrazole)copper(II) tetrafluoroborate and Cu(II)-doped hexakis(1-propyltetrazole)zinc(II) tetrafluoroborate. Dynamic to static Jahn–Teller distortion
  作者：Vathyar Savarimuthu Xavier Anthonisamy、Ramachandran Murugesan

  DOI：10.1016/s0009-2614(97)01461-9

  日期：1998.5

  EPR studies have been carried out on Cu(ptz)(6)(BF4)(2) and Cu(II)-doped Zn(ptz)(6)(BF4)(2) in single crystal and powder forms. Powder spectra, measured as a function of temperature over a wide range (6-300 K), are explicable in terms of a transition from dynamic to static Jahn-Teller distortion. Angular variation at 77K has been carried out for single crystals of both diluted and undiluted samples and successfully simulated to match the experimental spectra. Angular variation studies are consistent with the tetragonally elongated geometry, with d(x2-y2) ground state, typically found for the static Jahn-Teller effect in CuL62+ systems. (C) 1998 Elsevier Science B.V. All rights reserved.