苯-1,2,3,4,5,6-六胺 | 4444-26-2

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯-1,2,3,4,5,6-六胺
• 中文别名: 六氨基苯(3盐酸盐)；六氨基苯
• 英文名称: benzenehexamine
• 英文别名: hexaaminobenzene；Benzolhexamin；HAB；1,2,3,4,5,6-Benzenehexamine；benzene-1,2,3,4,5,6-hexamine
• CAS: 4444-26-2
• 化学式: C₆H₁₂N₆
• 分子量: 168.201
• InChiKey: OWSZUKMVEBFJMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  255 °C (decomp)
• 沸点：
  469.2±40.0 °C(Predicted)
• 密度：
  1.631±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  156
• 氢给体数：
  6
• 氢受体数：
  6

安全信息

• 储存条件：
  -20℃保存，应避光且保持干燥和惰性气体环境。

制备方法与用途

概述

六氨基苯（3-盐酸盐）是一种芳香烃类衍生物，常用于有机合成的中间体。

应用

六氨基苯（3-盐酸盐）不仅可用作有机合成中间体，还可作为医药中间体。它主要应用于实验室中的有机合成过程和化工医药合成过程中。

反应信息

• 作为反应物：
  描述：

  苯-1,2,3,4,5,6-六胺 在 水 、 溶剂黄146 、 sodium nitrite 作用下， 反应 0.5h， 生成 benzo<1,2-d:4,5-d'>bis(triazole)-4,8-dione
  参考文献：
  名称：

  Cyanocarbene, Isocyanocarbene, and Azacyclopropenylidene: A Matrix-Spectroscopic Study

  摘要：

  Matrix-isolated cyanoketene (5) was obtained by flash vacuum pyrolysis of the precursor 3 and by the photoinduced addition of carbon monoxide to cyanocarbene (6), which was generated by irradiation of diazoacetonitrile (7), The reaction 6 --> 5 could be reversed by exciting 5 with UV light (lambda < 200 nm). Matrix-isolated 6 was isomerized to isocyanocarbene (8) and azacyclopropenylidene (9) by irradiation with light of selected wavelengths. The photochemical interconversions of the three C2HN isomers were completely reversible. The UV/Vis and IR spectra of 8 and 9 are reported for the first time. The identification of both carbenes is based on the good agreement between the experimental and theoretical IR spectra, which were obtained by density functional calculations (B3LYP/6-311 + + G**). From the IR spectra it can be concluded that 8 has a singlet ground state and a strongly bent structure.

  DOI：

  10.1002/(sici)1521-3765(19981002)4:10<1957::aid-chem1957>3.0.co;2-1
• 作为产物：
  描述：

  1,3,5-三氯苯 在 硫酸 、 palladium 10% on activated carbon 、 氨 、 氢气 、 potassium nitrate 作用下， 以 乙酸乙酯 、 甲苯 为溶剂， 40.0~130.0 ℃ 、4.05 MPa 条件下， 反应 42.0h， 生成 苯-1,2,3,4,5,6-六胺
  参考文献：
  名称：

  A hexaazatriphenylene-based organogel that responds to silver(I) with high selectivity under aqueous condition

  摘要：

  A hexaazatriphenylene (HAT)-based gelator was developed. It exhibits excellent gelation ability. The resulting organogel shows very high selectivity toward Ag+ ion under aqueous condition in the form of gel-sol transformation. The mechanism of such transformation was also investigated through UV-vis spectroscopy and powder X-ray diffraction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.137

文献信息

• 一种有机化合物、电致发光材料及其应用
  申请人：武汉天马微电子有限公司

  公开号：CN111635411A

  公开（公告）日：2020-09-08

  本发明提供一种有机化合物、电致发光材料及其应用，所述有机化合物具有如式I所示结构，是一种新型的枝化苯并咪唑小分子，所述有机化合物通过星形多臂结构的设计，能够改善材料的无定型性和抗结晶性，避免共轭平面的直接堆积，从而提高了发光效率。所述有机化合物具有TADF特性和聚集诱导发光性能，能够显著提高两种载流子的传输能力和改善载流子平衡，改善荧光量子效率和器件综合性能。所述有机化合物作为OLED器件的发光层材料，尤其适用于掺杂体系中的客体材料或非掺杂体系中的发光材料，能够降低器件的启亮电压，提升器件的发光效率和工作寿命。
• [EN] NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES<br/>[FR] COMPOSÉS AROMATIQUES COMPRENANT DE L'AZOTE ET COMPLEXES MÉTALLIQUES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2011052805A1

  公开（公告）日：2011-05-05

  To provide nitrogen-containing aromatic compounds with excellent oxygen reduction activity, metal complexes containing them, and catalysts and electrodes employing the same, the present invention provides an aromatic compound satisfying the following conditions (a) and (b): (a) It has 2 or more structures surrounded by at least 4 coordinatable nitrogen atoms (which structures may be the same or different), (b) At least one of the nitrogen atoms composing the structure is a nitrogen atom in a 6-membered nitrogen-containing heterocyclic ring.

  为了提供具有优异氧还原活性的含氮芳香化合物，含有它们的金属配合物，以及使用相同金属配合物的催化剂和电极，本发明提供了满足以下条件（a）和（b）的芳香化合物：（a）它具有至少4个可配位氮原子包围的2个或更多结构（这些结构可以相同也可以不同），（b）构成结构的氮原子中至少有一个是6元氮含杂环的氮原子。
• [EN] SULFUR-CONTAINING INORGANIC-ORGANIC HYBRID MATERIALS AND METHODS FOR MAKING THE SAME<br/>[FR] MATÉRIAUX HYBRIDES INORGANIQUES-ORGANIQUES CONTENANT DU SOUFRE ET LEURS PROCÉDÉS DE FABRICATION
  申请人：UNIV CHICAGO

  公开号：WO2021081172A1

  公开（公告）日：2021-04-29

  Coordination complexes of tetrathiafulvalene-based dithiolene linkers, such as tetrathiafulvalene-2,3,6,7-tetrathiolate (TTFtt), and their oxidation products are described. The coordination complexes can include metals such as tin or silicon. Also described are methods of using the coordination complexes in transmetallation reactions, e.g., to prepare sulfur coordination polymers, and sulfur coordination polymers doped with tetrathiafulvalene-based dithiolene linkers having different oxidation states.

  描述了基于四硫富瓦烯二硫辛联结物的配位配合物，例如四硫富瓦烯-2,3,6,7-四硫酸盐（TTFTT）及其氧化产物。这些配位配合物可以包括金属，如锡或硅。还描述了利用这些配位配合物进行金属交换反应的方法，例如用于制备硫配位聚合物，以及掺杂有具有不同氧化态的基于四硫富瓦烯二硫辛联结物的硫配位聚合物。
• Sulfur Nitrides in Organic Chemistry. 18. Preparation and Reduction of Benzo[1,2-<i>c</i>:3,4-<i>c</i>′:5,6-<i>c</i>″]tris- and Benzo[1,2-<i>c</i>:3,4-<i>c</i>′]bis[1,2,5]thiadiazole. A Convenient Route to Benzenehexamine and 1,2,3,4-Benzenetetramine
  作者：Shuntaro Mataka、Hisao Eguchi、Kazufumi Takahashi、Taizo Hatta、Masashi Tashiro

  DOI：10.1246/bcsj.62.3127

  日期：1989.10

  Benzotris- (3) and benzobis[1,2,5]thiadiazole (4) were prepared in a moderate yield, respectively, by the reaction of tetrasulfur tetranitride (5) with halocatechols (6) and -resorcinols (7). The reduction of 3 and 4 with Sn powder in a mixture of concentrated hydrochloric acid and dioxane gave benzenehexamine (1) and 1,2,3,4-benzenetetramine (2a) and its 5-methyl derivative (2b) in good yields, as

  通过四氮化四硫 (5) 与卤代儿茶酚 (6) 和间苯二酚 (7) 的反应，分别以中等产率制备苯并三- (3) 和苯并双 [1,2,5] 噻二唑 (4)。在浓盐酸和二恶烷的混合物中用锡粉还原 3 和 4 得到苯六胺 (1) 和 1,2,3,4-苯四胺 (2a) 及其 5-甲基衍生物 (2b)，收率良好，如分别是稳定的三盐酸盐 (1·3HCl) 和二盐酸盐 (2·2HCl)。
• HAIR TREATMENT PRODUCTS COMPRISING POLYMERS
  申请人：Schulze zur Wiesche Erik

  公开号：US20090304620A1

  公开（公告）日：2009-12-10

  The invention relates to hair treatment products, comprising at least one copolymer made of 0.1 to 50% (in relation to the total number of monomers in the copolymer) monomers of the formula (I), wherein the unknowns are defined as in claim 1 , and A2) are monomers from the group of acrylic acid, methacrylic acid and the like, and—optionally non-ionic monomers from the group of acrylamide, vinyl alcohol, and the like, wherein the monomers A2 and A3 together represent 50 to 99.9% (in relation to the total number of monomers in the copolymer) of the copolymer, at least one silicon and at least one selected care product, wherein the products result in advantageous effects for skin and hair.

  该发明涉及头发护理产品，包括至少一种由0.1至50%（相对于共聚物中单体总数的比例）的公式（I）的单体制成的共聚物，其中未知数的定义如权利要求1中定义的，以及A2）是来自丙烯酸、甲基丙烯酸等单体组的单体，以及——可选的非离子单体，来自丙烯酰胺、乙烯醇等单体组，其中单体A2和A3共同代表共聚物中50至99.9%（相对于共聚物中单体总数的比例）的单体，至少含有一种硅和至少一种选定的护理产品，其中这些产品对皮肤和头发具有有利效果。