3,4-二溴吡啶 | 13534-90-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3,4-二溴吡啶
• 英文名称: 3,4-dibromopyridine
• 英文别名: 3,4-Dibrom-pyridin；dibromo-3,4 pyridine
• CAS: 13534-90-2
• 化学式: C₅H₃Br₂N
• mdl: MFCD00234016
• 分子量: 236.894
• InChiKey: ZFZWZGANFCWADD-UHFFFAOYSA-N

物化性质

• 熔点：
  71-72 C
• 沸点：
  239.9±20.0 °C(Predicted)
• 密度：
  2.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 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：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  冷藏保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,4-Dibromopyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3,4-Dibromopyridine
CAS number: 13534-90-2

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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.

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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.
Store in closed vessels, refrigerated.
Storage:

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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.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H3Br2N
Molecular weight: 236.9

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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.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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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

反应信息

• 作为反应物：
  描述：

  3,4-二溴吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 potassium carbonate 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 32.0h， 生成 9-phenylethylpyrido[3,4-b]indole
  参考文献：
  名称：

  通过顺序的位点选择性Pd催化的C–C，C–N偶联反应，可以有效地从常见的起始原料中获得β-和γ-咔啉

  摘要：

  据报道，有两种有效且实用的方法可从3,4-二溴吡啶作为一种常见的起始原料合成β-和γ-咔啉衍生物。的β -carbolines通过位点选择性Pd催化的C-C耦合与制备ö -bromophenylboronic酸和随后的环化通过双C-N与胺偶联。γ-咔啉是由相同的原料通过C–N与苯胺偶联，然后由多米诺C–C / C–N与邻溴苯硼酸偶联而制得的。

  DOI：

  10.1016/j.tet.2019.130569
• 作为产物：
  描述：

  吡啶 在 溴 作用下， 生成 3,4-二溴吡啶
  参考文献：
  名称：

  den Hertog, Recueil des Travaux Chimiques des Pays-Bas, 1945, vol. 64, p. 85,98

  摘要：

  DOI：

文献信息

• N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists
  申请人：——

  公开号：US20020165241A1

  公开（公告）日：2002-11-07

  Compounds represented by Formula (I): 1 or pharmaceutically acceptable salts thereof, are effective as NMDA NR2B antagonists useful for relieving pain.

  由化学式（I）表示的化合物及其药学上可接受的盐，可作为NMDA NR2B拮抗剂，用于缓解疼痛。
• [EN] SUBSTITUTED QUINOXALINE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINOXALINE SUBSTITUÉS
  申请人：SELVITA S A

  公开号：WO2016180537A1

  公开（公告）日：2016-11-17

  The present invention relates to substituted quinoxaline derivatives. These compounds are useful for the prevention and/or treatment of several medical conditions including hyperproliferative disorders and diseases.

  这项发明涉及取代喹喔啉衍生物。这些化合物对预防和/或治疗包括过度增殖性疾病在内的多种医疗状况具有用处。
• Syntheses of Benzofuranoquinolines and Analogues via Photoinduced Acceptorless Dehydrogenative Annulation of <i>o</i>-Phenylfuranylpyridines
  作者：Jinming Fan、Wei Zhang、Wangxi Gao、Tao Wang、Wei-Liang Duan、Yong Liang、Zunting Zhang

  DOI：10.1021/acs.orglett.9b03556

  日期：2019.11.15

  strategy for the syntheses of benzofuranoquinolines and its analogues via the irradiation of o-phenylfuranyl/thienylpyridines/pyrimidines in DCM with UV light at rt under an argon atmosphere is described. The mechanism of this reaction through the process of 6π-electrocyclization, [1,5]-hydrogen shift, and 1,3-eneamine tautomerism leading to H2 evolution was elucidated. Notably, the syntheses of cis-8b-methyl-8b

  描述了通过在氩气气氛下在室温下用UV光在DCM中用邻苯呋喃基/噻吩基吡啶/嘧啶进行辐照来合成苯并呋喃喹啉及其类似物的策略。阐明了该反应通过6π-电环化，[1,5]-氢转移和1,3-烯胺互变异构导致H2析出的机理。值得注意的是，通过光诱导的2-（3-甲基苯并呋喃-2-基）-3-苯基吡啶的光致重排合成了顺式-8b-甲基-8b，13a-二氢苯并[f]苯并呋喃[3,2-h]喹诺酮这种反应的机制凸显了开发方法的重要性。
• [EN] NOVEL COMPOUNDS AS ROR GAMMA MODULATORS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS EN TANT QUE MODULATEURS DE ROR GAMMA
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2017021879A1

  公开（公告）日：2017-02-09

  The present disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein ring A, ring B, L, R1, R2, R3, R4, R5, Ra, Rb, n, m, p and q are as defined herein, which are active as modulators of retinoid-related orphan receptor gamma t (RORγt). These compounds prevent, inhibit, or suppress the action of RORγt and are therefore useful in the treatment of RORγt mediated diseases, disorders, syndromes or conditions such as, e.g., pain, inflammation, COPD, asthma, rheumatoid arthritis, colitis, multiple sclerosis, psoriasis, neurodegenerative diseases and cancer.

  本公开涉及式(I)的化合物及其药用盐，其中环A、环B、L、R1、R2、R3、R4、R5、Ra、Rb、n、m、p和q如本文所定义，这些化合物作为视黄酸相关孤儿受体γt（RORγt）调节剂具有活性。这些化合物可以预防、抑制或抑制RORγt的作用，因此在治疗RORγt介导的疾病、紊乱、综合症或症状方面具有用处，例如疼痛、炎症、慢性阻塞性肺病（COPD）、哮喘、类风湿性关节炎、结肠炎、多发性硬化症、牛皮癣、神经退行性疾病和癌症。
• [EN] BENZIMIDAZOLONE DERIVED INHIBITORS OF BCL6<br/>[FR] INHIBITEURS DE BCL6 DÉRIVÉS DE BENZIMIDAZOLONE
  申请人：CANCER RESEARCH TECH LTD

  公开号：WO2018215801A1

  公开（公告）日：2018-11-29

  The present invention relates to compounds of Formula I that function as inhibitors of BCL6 (B-cell lymphoma 6) activity: wherein X1, X2, R1, R2 and R3 are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which BCL6 activity is implicated.

  本发明涉及作为BCL6（B细胞淋巴瘤6）活性抑制剂的Formula I化合物：其中X1、X2、R1、R2和R3如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增生性疾病（如癌症）以及BCL6活性有所涉及的其他疾病或病况中的用途。