4-溴-5-硝基-1,2-苯二甲腈 | 206268-72-6

• 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: 4-溴-5-硝基-1,2-苯二甲腈
• 英文名称: 4-bromo-5-nitrophthalonitrile
• 英文别名: 4-bromo-5-nitrophthalodinitrile；4-Bromo-5-nitro-phthalonitrile；4-bromo-5-nitrobenzene-1,2-dicarbonitrile
• CAS: 206268-72-6
• 化学式: C₈H₂BrN₃O₂
• 分子量: 252.027
• InChiKey: PZOBMISAMQBXIY-UHFFFAOYSA-N

物化性质

• 沸点：
  363.4±42.0 °C(Predicted)
• 密度：
  1.86±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 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：
  93.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-溴-5-硝基-1,2-苯二甲腈 在 三乙胺 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 、 异丙醇 为溶剂， 反应 3.0h， 生成 4-(1H-1,2,3-benzotriazol-1-yl)-5-nitrophthalonitrile
  参考文献：
  名称：

  4-(1-Benzotriazolyl)-5-nitrophthalonitrile as a highly active substrate in aromatic nucleophilic substitution reactions

  摘要：

  The title compound was synthesised, and its derivatives were prepared in high yields using the selective substitution of O-, S- and N-nucleophiles for the nitro group; an activating effect of the benzotriazolyl moiety on the above reactions was found.

  DOI：

  10.1070/mc2002v012n02abeh001538
• 作为产物：
  描述：

  4-溴邻苯二甲酰亚胺 在 ammonium hydroxide 、 氯化亚砜 、 硫酸 、 硝酸 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 57.0h， 生成 4-溴-5-硝基-1,2-苯二甲腈
  参考文献：
  名称：

  Shishkina; Maizlish; Shaposhnikov, Russian Journal of General Chemistry, 1997, vol. 67, # 5, p. 789 - 792

  摘要：

  DOI：

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20160218303A1

  公开（公告）日：2016-07-28

  A family of phosphorescent emitter compounds containing a carbene ligand L A selected from the group consisting of: is disclosed. These compounds enhance the performance of OLEDs when incorporated therein.

  揭示了一类含有从以下组中选择的卡宾配体L的磷光发射物化合物家族。这些化合物在其中加入后提高了OLED的性能。
• Symmetrical and difunctional substituted cobalt phthalocyanines with benzoic acids fragments: Synthesis and catalytic activity
  作者：Artur Vashurin、Vladimir Maizlish、Ilya Kuzmin、Serafima Znoyko、Anastasiya Morozova、Mikhail Razumov、Oscar Koifman

  DOI：10.1142/s108842461750002x

  日期：2017.1

  Difunctional and symmetric phthalonitriles were synthesized by nucleophilic substitution of brome and nitro-group in 4-bromo-5-nitro-phthalonitrile for residues 4-amino-, 4-hydroxyl- and 4-sulfanyl benzoic acid. Symmetrical and difunctional substituted cobalt phthalocyanines were obtained by template synthesis based on mentioned phthalonitriles. Their spectral properties and catalytic activity in aerobic oxidation of sodium [Formula: see text],[Formula: see text]-carbomoditiolate were investigated.

  通过亲核取代 4-溴-5-硝基邻苯二甲腈中的溴基和硝基，以 4-氨基、4-羟基和 4-硫基苯甲酸为残基，合成了不同官能团和对称的邻苯二甲腈。以上述酞腈为基础，通过模板合成法获得了对称和双官能团取代的酞菁钴。研究了这些酞菁在有氧氧化[式：见正文]、[式：见正文]-碳二硫醇钠时的光谱特性和催化活性。
• [EN] IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES<br/>[FR] DÉRIVÉS D'IMIDAZO [4, 5-C] PYRIDINE UTILES POUR LE TRAITEMENT DE MALADIES DÉGÉNÉRATIVES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2013117649A1

  公开（公告）日：2013-08-15

  Novel imidazolopyridines according to Formula I, able to inhibit JAK are disclosed, wherein R1 and Cy are as disclosed herein. These compounds may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, allergic or inflammatory conditions, autoimmune diseases, proliferative diseases, transplantation rejection, diseases involving impairment of cartilage turnover, congenital cartilage malformations, and/or diseases associated with hypersecretion of IL6 or interferons.

  根据公式I揭示了能够抑制JAK的新型咪唑吡啶类化合物，其中R1和Cy如本文所述。这些化合物可以制备为药物组合物，并可用于预防和治疗哺乳动物包括人类的各种疾病，包括但不限于过敏或炎症性疾病、自身免疫疾病、增生性疾病、移植排斥、涉及软骨周转障碍的疾病、先天软骨畸形以及与IL6或干扰素过度分泌相关的疾病。
• Coordination and electrochemistry of new substituted manganese phthalocyanines
  作者：Olga Dolotova、Alexandr Konarev、Konstantin Volkov、Vladimir Negrimovsky、Oleg L. Kaliya

  DOI：10.1142/s1088424612501015

  日期：2012.7

  A number of substituted manganese phthalocyanines PcMn have been synthesized from the corresponding phthalonitriles with rather good yields (up to 67%) and high purity. All complexes were characterized by elemental analysis, electronic absorption spectra, and some of them by redox potentials. Three coordination forms — PcMn(II), PcMn(III)X and [LPcMn(III)]₂O were fixed for all complexes. The equilibrium of three electronic isomers — Pc^+· Mn(I) × L, PcMn(II) × L_n and Pc^-· Mn(III) × 2L — has been observed in solutions of all PcMn(II) in the presence of organic base L.

  我们从相应的邻苯二腈中合成了一些取代锰酞菁 PcMn，其产率相当高（达 67%），纯度也很高。所有配合物都通过元素分析、电子吸收光谱以及其中一些氧化还原电位进行了表征。所有配合物都固定了三种配位形式--PcMn(II)、PcMn(III)X 和 [LPcMn(III)]2O。在有机碱 L 的存在下，所有 PcMn(II) 的溶液中都观察到了三种电子异构体--Pc+- Mn(I) × L、PcMn(II) × Ln 和 Pc- Mn(III) × 2L --的平衡。
• Novel azo dye compound
  申请人：Kobayashi Katsumi

  公开号：US20060142553A1

  公开（公告）日：2006-06-29

  A compound represented by formula (I): Formula (I) wherein Z 1 and Z 2 each are atoms necessary for forming an aromatic ring; V 1 and V 2 each are a substituent W 1 or W 2 ; when at least one V 1 is W 1 , at least one V 2 is W 2 , or when at least one V 1 is W 2 , at least one V 2 is W 1 ; r is 1 to 4; s is 1 to 4; M 1 is a counter ion; m 1 is the number necessary for neutralizing charge; W 1 is a hydroxyl, primary- or secondary- or tertiary-amino, acylamino, or sulfonamido group; W 2 is a nitro, cyano, alkoxycarbonyl, aryloxycarbonyl, alkyl- or aryl-sulfonyl, carbamoyl, sulfamoyl, alkenyl, alkynyl, aryl, heterocyclic, sulfo, carboxyl, heterocyclic oxy, ammonio, alkyl- or aryl-sulfinyl, alkyl- or aryl-sulfonyl, acyl, or aryl- or heterocyclic-azo group; and the aromatic ring may have a substituent other than V 1 and V 2 .

  化合物的化学式为（I）：化学式（I）其中Z1和Z2各自是形成芳香环所必需的原子；V1和V2各自是取代基W1或W2；当至少一个V1是W1时，至少一个V2是W2，或者当至少一个V1是W2时，至少一个V2是W1；r为1至4；s为1至4；M1是一个计数离子；m1是中和电荷所需的数量；W1是羟基，一级、二级或三级氨基，酰胺基或磺酰胺基；W2是硝基，氰基，烷氧羰基，芳基氧羰基，烷基或芳基磺酰基，氨基甲酰基，磺胺基，烯基，炔基，芳基，杂环，磺基，羧基，杂环氧基，铵基，烷基或芳基亚砜基，烷基或芳基磺酰基，酰基，或芳基或杂环偶氮基；芳香环可能具有除V1和V2之外的取代基。