3,5-二溴-4-硝基吡唑 | 104599-36-2

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 3,5-二溴-4-硝基吡唑
• 中文别名: 3,5-二溴-4-硝基-1H-吡唑
• 英文名称: 3,5-dibromo-4-nitropyrazole
• 英文别名: 3,5-dibromo-4-nitro-1H-pyrazole
• CAS: 104599-36-2
• 化学式: C₃HBr₂N₃O₂
• 分子量: 270.868
• InChiKey: HUEFSFAVCVCTAX-UHFFFAOYSA-N

物化性质

• 熔点：
  168-170°
• 沸点：
  328.5±37.0 °C(Predicted)
• 密度：
  2.575±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 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：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933199090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥环境下使用。

反应信息

• 作为反应物：
  描述：

  3,5-二溴-4-硝基吡唑 在 CH₃I 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以72.6%的产率得到3,5-二溴-1-甲基-4-硝基吡唑
  参考文献：
  名称：

  Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof

  摘要：

  含有适合染色的介质和至少一种3-取代吡唑角蛋白染料化合物及其衍生物的角蛋白氧化染色组合物。一种角蛋白氧化染色的方法，包括在氧化剂存在下应用这种组合物，以便在足够的时间内发展所需的着色。

  公开号：

  US20090282622A1
• 作为产物：
  描述：

  4-硝基吡唑 在 sodium hydroxide 、 溴 作用下， 以 水 为溶剂， 反应 3.0h， 生成 3,5-二溴-4-硝基吡唑
  参考文献：
  名称：

  Pyrazoles. 19. Selective thermolysis reactions of bromo-1-nitro-1H-pyrazoles. Formation of 3-nitro-1H- vs. 4-nitro-1H-pyrazoles

  摘要：

  DOI：

  10.1021/jo00374a029

文献信息

• Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres
  申请人：——

  公开号：US20040143909A1

  公开（公告）日：2004-07-29

  The invention relates to novel diaminopyrazole having formula (I), wherein: R 1 , R 2 , identical or different, represent a C 3 C 5 mono- or polyhydroxyalkyl, isopropyl, n-propyl or ethyl group, said groups being linear or branched, and their physiologically acceptable salts. The invention also relates to a composition for dyeing keratinous fibres containing a compound having formula (I) and the method for using same. 1

  该发明涉及具有式（I）的新型二氨基吡唑，其中：R1，R2，相同或不同，代表C3C5单醇或多醇烷基，异丙基，正丙基或乙基基团，所述基团为直链或支链，并且它们的生理上可接受的盐。该发明还涉及一种用于染色角蛋白纤维的组合物，其中包含具有式（I）的化合物以及使用该组合物的方法。
• Bridged diaminopyrazole compounds and dye compositions containing same
  申请人：——

  公开号：US20020170125A1

  公开（公告）日：2002-11-21

  The new diaminopyrazole compounds are bridged 4,5-diaminopyrazole compounds or salts thereof. These diaminopyrazole compounds have the formula (I): 1 wherein R1 represents hydrogen, a C 1 - to C 6 -alkyl, a C 1 - to C 4 -hydroxyalkyl, a C 1 - to C 4 -aminoalkyl, a C 1 - to C 8 -alkylamino, a di(C 1 - to C 8 -alkyl)amino, a C 1 - to C 4 -alkylamino-(C 1 - to C 4 -alkyl), a di(C 1 - to C 4 -alkylamino)-C 1 - to C 4 -alkyl, an aryl or a heteroaryl; R2 and R3 each represent hydrogen, a straight-chain or branched C 1 - to C 6 -alkyl, an aryl, a heteroaryl, a carboxylic acid, a carboxylic acid ester, an unsubstituted or substituted carboxylic acid amide, a hydroxy or a C 1 - to C 4 -hydroxyalkyl group, or R2 and R3 together represent a C 1 - to C 6 -alkylene group; Z represents a C 1 - to C 10 -alkyl diradical, optionally interrupted by a heteroatom, an aromatic or heteroaromatic diradical, optionally substituted with a hydroxy group, a C 1 - to C 6 -alkyl group and/or is subjected to a benzocondensation once or twice; or Z is —Ar(Alk) n —Ar—, wherein Ar represents an arylene group or a heteroarylene group, Alk represents a —CH 2 — group and n is 0 to 6; and x and y are 0 or 1.

  新的二氨基吡唑化合物是桥联的4,5-二氨基吡唑化合物或其盐。这些二氨基吡唑化合物的化学式为（I）：其中R1代表氢、C1至C6烷基、C1至C4羟基烷基、C1至C4氨基烷基、C1至C8烷基氨基、双（C1至C8烷基）氨基、C1至C4烷基氨基（C1至C4烷基）、双（C1至C4烷基氨基）-C1至C4烷基、芳基或杂芳基；R2和R3各自代表氢、直链或支链的C1至C6烷基、芳基、杂芳基、羧酸、羧酸酯、未取代或取代的羧酸酰胺、羟基或C1至C4羟基烷基，或者R2和R3一起代表C1至C6烷基烯基；Z代表C1至C10烷基二基团，可由杂原子中断，芳香或杂芳二基团，可取代一个羟基、一个C1至C6烷基团和/或经过一次或两次苯环缩合；或Z为—Ar(Alk)n—Ar—，其中Ar代表芳基团或杂芳基团，Alk代表—CH2—基团，n为0至6；x和y为0或1。
• [EN] PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY<br/>[FR] DÉRIVÉS DE PYRAZOLE UTILISÉS COMME MODULATEURS DE LA VOIE DE SIGNALISATION WNT/β-CATÉNINE
  申请人：SAMUMED LLC

  公开号：WO2020150545A1

  公开（公告）日：2020-07-23

  Pyrazole compounds (I) for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of a pyrazole compounds, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  本发明涉及用于治疗各种疾病和病理的吡唑化合物（I）。更具体地，本公开涉及使用吡唑化合物，在治疗通过激活Wnt途径信号特征的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎）中，调节由Wnt途径信号介导的细胞事件，以及与DYRK1A过度表达相关的神经症状/疾病。
• Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler and at least one associative polyurethane polymer
  申请人：Saunier Jean-Baptiste

  公开号：US20060277693A1

  公开（公告）日：2006-12-14

  The present disclosure relates to a composition for dyeing keratin fibers, for example, human keratin fibers such as the hair, comprising at least one oxidation base chosen from diamino-N,N-dihydropyrazolone compounds and addition salts thereof, at least one coupler and at least one associative polyurethane polymer, and also to a dyeing process and kit using such a composition. The present disclosure makes it possible, for instance, to obtain fast coloration of keratin fibers that is resistant to light and to washing.

  本公开涉及一种用于染色角蛋白纤维的组合物，例如人类角蛋白纤维，如头发，包括至少选择自二氨基-N，N-二氢吡唑酮化合物及其盐的氧化碱、至少一种偶联剂和至少一种缔合型聚氨酯聚合物，以及使用这种组合物的染色过程和套件。本公开使得例如可以获得对光线和水洗具有抗性的角蛋白纤维的快速着色。
• Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant
  申请人：Saunier Jean-Baptiste

  公开号：US20060277692A1

  公开（公告）日：2006-12-14

  Disclosed herein is a composition for dyeing keratin fibers, for example, human keratin fibers such as the hair, comprising at least one oxidation base chosen from diamino-N,N-dihydropyrazolones and the addition salts thereof, at least one coupler, and at least one surfactant chosen from (C 8 -C 30 )alkyl ether carboxylic acids and salts thereof, (C 12 -C 30 )alkyl polyglucosides, monoglycerolated surfactants, and polyglycerolated surfactants. Also disclosed herein is a method for dyeing keratin fibers comprising applying a composition in accordance with the present disclosure to the keratin fibers. The compositions and methods of the present disclosure may makes it possible to obtain fast coloration of keratin fibers that is resistant to light and/or to washing.

  本文揭示了一种用于染色角蛋白纤维的配方，例如人类角蛋白纤维，如头发，包括至少选择自二氨基-N，N-二氢吡唑酮和其盐的氧化碱，至少一种偶联剂，以及至少选择自（C8-C30）烷基醚羧酸及其盐，（C12-C30）烷基聚葡糖苷，单甘油酯表面活性剂和聚甘油酯表面活性剂的表面活性剂。本文还揭示了一种染色角蛋白纤维的方法，包括将根据本公开的配方应用于角蛋白纤维。本公开的配方和方法可以实现对角蛋白纤维进行快速染色，且具有抗光和/或洗涤的特性。