4,6-二溴嘧啶 | 36847-10-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,6-二溴嘧啶
• 英文名称: 4,6-dibromopyrimidine
• 英文别名: 4,6-Dibrompyrimidin
• CAS: 36847-10-6
• 化学式: C₄H₂Br₂N₂
• 分子量: 237.881
• InChiKey: CEPVZSXIONCAJV-UHFFFAOYSA-N

物化性质

• 熔点：
  49-52℃
• 沸点：
  263.7±20.0 °C(Predicted)
• 密度：
  2?+-.0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  8
• 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：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品运输编号：
  UN3261
• 包装等级：
  III
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H318
• 危险性防范说明：
  P280,P305 + P351 + P338

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,6-Dibromopyrimidine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H314: Causes severe skin burns and eye damage
H318: Causes serious eye damage
P260: Do not breathe dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 4,6-Dibromopyrimidine
CAS number: 36847-10-6

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels, refrigerated.

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C4H2Br2N2
Molecular weight: 237.9

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
UN Number: UN3261 Class: 8 Packing group: III
Proper shipping name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (4,6-Dibromopyrimidine)

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

医药生物化工中间体。

用途简介

反应信息

• 作为反应物：
  描述：

  4,6-二溴嘧啶 在 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 Tert-butyl-[6-[tert-butyl(oxido)amino]pyrimidin-4-yl]-oxoazanium
  参考文献：
  名称：

  磨碎的三重态嘧啶-4,6-二基双（叔丁基氮氧化物）作为金属-有机骨架的顺磁性构建基块

  摘要：

  我们合成了嘧啶-4,6-二基双（叔丁基氮氧化物）（pmbNO），并通过ESR光谱表征为双自由基。零场分裂参数为| D | / hc  = 2.52×10 -2  cm -1和| E | / hc  = 2.34×10 -3  cm -1在冷冻甲苯中于100K。磁性研究澄清了 在冷冻甲苯-乙醇中存在2 J / k B = +18.5（5）K的分子内铁磁耦合。DFT计算支持pmbNO的三重态。pmbNO与Cu（hfac）2的反应得到[Cu 3（pmbNO）2（hfac）4 ]，并通过X射线晶体学分析确定结构。尽管配体被还原为阴离子基团，但已确认pmbNO可以作为刚性桥，并且氮氧化合物的氧原子可以连接金属离子。

  DOI：

  10.1016/j.tetlet.2013.04.008
• 作为产物：
  描述：

  4,6-二氯嘧啶 在 三溴化磷 作用下， 生成 4,6-二溴嘧啶
  参考文献：
  名称：

  磨碎的三重态嘧啶-4,6-二基双（叔丁基氮氧化物）作为金属-有机骨架的顺磁性构建基块

  摘要：

  我们合成了嘧啶-4,6-二基双（叔丁基氮氧化物）（pmbNO），并通过ESR光谱表征为双自由基。零场分裂参数为| D | / hc  = 2.52×10 -2  cm -1和| E | / hc  = 2.34×10 -3  cm -1在冷冻甲苯中于100K。磁性研究澄清了 在冷冻甲苯-乙醇中存在2 J / k B = +18.5（5）K的分子内铁磁耦合。DFT计算支持pmbNO的三重态。pmbNO与Cu（hfac）2的反应得到[Cu 3（pmbNO）2（hfac）4 ]，并通过X射线晶体学分析确定结构。尽管配体被还原为阴离子基团，但已确认pmbNO可以作为刚性桥，并且氮氧化合物的氧原子可以连接金属离子。

  DOI：

  10.1016/j.tetlet.2013.04.008

文献信息

• [EN] HETEROARYLBENZIMIDAZOLE COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROARYLBENZIMIDAZOLE
  申请人：BAYER PHARMA AG

  公开号：WO2017102091A1

  公开（公告）日：2017-06-22

  The present invention covers heteroarylbenzimidazole compounds of general formula (I) in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative and/or inflammatory disorders, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式（I）中的杂环芳基苯并咪唑化合物，其中R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗或预防过度增殖和/或炎症性疾病的药物组合物，作为唯一活性成分或与其他活性成分组合使用。
• [EN] SREBP INHIBITORS COMPRISING A 6-MEMBERED CENTRAL RING<br/>[FR] INHIBITEURS DE SREBP COMPRENANT UN NOYAU CENTRAL À 6 CHAÎNONS
  申请人：CAPULUS THERAPEUTICS LLC

  公开号：WO2019148125A1

  公开（公告）日：2019-08-01

  Provided herein are compounds comprising a three-ring core, such as compounds of Formula (X), Formula (X-A), Formula (X-Ai), Formula (X-B), Formula (X-Bi), Formula (Z), Formula (Z-A), Formula (Z-Ai), Formula (Z-B), Formula (Z-Bi), Formula (I), Formula (I-A), Formula (I-Ai), Formula (I-B), and Formula (I-Bi), and pharmaceutically acceptable salts, solvates, tautomers, isotopes, or isomers thereof. Also provided herein are methods of inhibiting a component of the sterol regulatory element binding protein (SREBP) pathway, such as an SREBP or SREBP cleavage activating protein (SCAP), using these compounds, or pharmaceutically acceptable salts, solvates, tautomers, isotopes, or isomers thereof. Further provided are methods of treating a disorder in a subject in need thereof, such as liver disease, non-alcoholic steatohepatitis, insulin resistance, or cancer.

  本文提供了包含三环核的化合物，例如Formula（X），Formula（X-A），Formula（X-Ai），Formula（X-B），Formula（X-Bi），Formula（Z），Formula（Z-A），Formula（Z-Ai），Formula（Z-B），Formula（Z-Bi），Formula（I），Formula（I-A），Formula（I-Ai），Formula（I-B）和Formula（I-Bi），以及其药学上可接受的盐类、溶剂化合物、互变异构体、同位素或同分异构体。本文还提供了利用这些化合物或其药学上可接受的盐类、溶剂化合物、互变异构体、同位素或同分异构体来抑制类固醇调节元件结合蛋白（SREBP）途径的组分的方法，例如SREBP或SREBP裂解激活蛋白（SCAP）。此外，还提供了治疗患有肝病、非酒精性脂肪肝病、胰岛素抵抗或癌症等疾病的方法。
• [EN] SMARCA DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION DE SMARCA ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2020251972A1

  公开（公告）日：2020-12-17

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same for the modulation of one or more SWI/SNF-related matrix associated actin dependent regulator of chromatin subfamily A (SMARCA) and/or polybromo-1 (PB-1) protein via ubiqitination and/or degradation by compounds. The compounds are bifunctional molecules that link a cereblon-binding moiety to a ligand that binds SMARCA and/or PB1 proteins.

  本发明提供了化合物、其在药学上可接受的组合物，以及使用这些化合物调节一个或多个SWI/SNF相关的基质相关的肌动蛋白依赖性染色质亚家族A (SMARCA)和/或polybromo-1 (PB-1)蛋白的方法，通过化合物通过泛素化和/或降解。这些化合物是双功能分子，将结合到cereblon的部位与结合到SMARCA和/或PB1蛋白的配体相连。
• [EN] ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF<br/>[FR] ISOXAZOLIDINES EN TANT QU'INHIBITEURS DE RIPK1 ET LEUR UTILISATION
  申请人：SANOFI SA

  公开号：WO2021245070A1

  公开（公告）日：2021-12-09

  The present invention relates to isoxazolidines of formula I and their use as receptor-interacting protein kinase 1 inhibitors, for example in the treatment of diseases and disorders mediated by RIP kinase (1) such as rheumatoid arthritis (RA), psoriasis, inflammatory bowel disease (IBD), Crohn's disease or ulcerative colitis.

  本发明涉及式I的异噁唑啉及其作为受体相互作用蛋白激酶1抑制剂的用途，例如用于治疗由RIP激酶（1）介导的疾病和紊乱，如类风湿性关节炎（RA）、牛皮癣、炎症性肠病（IBD）、克罗恩病或溃疡性结肠炎。
• 有机电致发光化合物和使用该化合物的有机电致发光器件
  申请人：南京高光半导体材料有限公司

  公开号：CN107686484A

  公开（公告）日：2018-02-13

  本发明提供了一种有机电致发光化合物和使用该化合物的有机电致发光器件，该化合物结构式如式Ⅰ所示：本发明提供的化合物可以作为空穴注入层材料、空穴传输层材料、发光层材料、电子阻隔层材料及覆盖层材料，起到降低驱动电压，提高效率、效率、亮度、热稳定性、色纯度、寿命等效果。另外，使用此有机化合物制造的有机电致发光器件具有高效率和长寿命的优异性能。