3-溴-4-硝基吡啶 | 89364-04-5

• 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-溴-4-硝基吡啶
• 中文别名: 3-溴-4-硝基
• 英文名称: 3-bromo-4-nitropyridine
• 英文别名: 3-Brom-4-nitro-pyridin
• CAS: 89364-04-5
• 化学式: C₅H₃BrN₂O₂
• 分子量: 202.995
• InChiKey: CJEWCWSWUUFORD-UHFFFAOYSA-N

物化性质

• 熔点：
  66-67 °C
• 沸点：
  235.7±20.0 °C(Predicted)
• 密度：
  1.833±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 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：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-4-nitropyridine
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-Bromo-4-nitropyridine
CAS number: 89364-04-5

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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, under −20◦C.
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: C5H3BrN2O2
Molecular weight: 203.0

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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

制备方法与用途

3-溴-4-硝基吡啶是一种吡啶化合物，已被确认为环境污染物。它还可用于合成其他化合物，例如4-(3-溴吡啶-2-基)吗啉，进而用于合成乙腈。

反应信息

• 作为反应物：
  描述：

  3-溴-4-硝基吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 磷酸三乙酯 、 10 wt% Pd(OH)2 on carbon 、 氢气 、 sodium hydride 、 potassium carbonate 、 caesium carbonate 、 N,N-二异丙基乙胺 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 、 甲醇 、 水 、 甲苯 为溶剂， 反应 9.0h， 生成 4-(14-(5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-yloxy)-3,6,9,12-tetraoxatetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindolin-1,3-dione
  参考文献：
  名称：

  TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE

  摘要：

  本公开涉及双功能化合物，其作为tau蛋白的调节剂具有实用性。具体而言，本公开涉及含有一端结合到E3泛素连接酶的VHL或cereblon配体，另一端结合到tau蛋白的双功能化合物，使得tau蛋白与泛素连接酶靠近，以实现tau蛋白的降解（和抑制）。本公开展示了与tau蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由tau蛋白聚集或积累导致的疾病或紊乱。

  公开号：

  US20180125821A1
• 作为产物：
  描述：

  3-溴-4-硝基吡啶-N-氧化物 在 [ReOCl₃(PPh₃)₂] 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 3-溴-4-硝基吡啶
  参考文献：
  名称：

  一锅两步自动合成[18F] T807注射剂，其在小鼠和猴子中的生物分布以及在人体中的初步研究。

  摘要：

  [18F] T807是有效的tau蛋白显像剂。为了满足临床前和临床研究的需求，我们开发了这种强效tau成像剂的自动一锅两步合成方法，并研究了其稳定性以及在小鼠和猴子中的剂量测定。我们还对该人类成像剂进行了初步研究。使用这种一锅两步法，在轰击（EOB）结束后的70±5分钟合成时间内，[18F] T807的放射化学产率（RCY）为20.5±6.1％（n = 15）。化学和放射化学纯度> 90％，比活度为151±52 GBq /μmol。通过这种方法合成的[18F] T807的质量符合美国药典（USP）的标准。稳定性测试表明，[18F] T807注射液在合成（EOS）结束后在室温下稳定长达4小时。从猴子推断的[18F] T807注射的估计有效剂量为19μSv/ MBq（n = 2），而从禁食和非禁食的小鼠推断的[18F] T807注射的估计有效剂量为123±27（ n = 3）和94±19（n =

  DOI：

  10.1371/journal.pone.0217384

文献信息

• KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3901152A1

  公开（公告）日：2021-10-27

  The invention provides new heterocyclic compounds having the general formula (I) wherein A, B, L, Y1 to Y4 and R1 to R6 are as described herein.

  这项发明提供了具有一般式(I)的新杂环化合物 其中A、B、L、Y1至Y4和R1至R6如本文所述。
• 타우 응집체에 선택적으로 결합하는 형광 탐침자로서 유효한 신규 화합물 및 이의 제조 방법
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR20200142215A

  公开（公告）日：2020-12-22

  본 발명은 타우 응집체에 높은 선택성을 가지는 화합물 및 이의 제조방법, 상기 화합물을 포함하는 타우 표적 형광 탐침자, 상기 형광 탐침자를 유효성분으로 포함하는 타우 섬유단백질 검출용 조성물, 및 상기 조성물의 타우병증 진단 용도에 관한 것이다. 특히, 본 발명의 화합물은 아밀로이드 베타 단백질에는 결합하지 않고, 특이적으로 타우병증의 초기 상태의 병인으로 보고된 타우 응집체에 높은 선택성을 가지므로, 알츠하이머병을 포함한 타우병증의 조기 진단을 위한 타우 섬유단백질 검출용 형광 탐지자로서 유용하게 활용될 수 있다.

  本发明涉及一种具有对τ蛋白聚集体具有高选择性的化合物及其制备方法，包括所述化合物的τ靶向荧光探针，将所述荧光探针作为有效成分的用于检测τ蛋白纤维的组合物，以及用于τ病变诊断的该组合物的用途。具体来说，本发明的化合物具有高选择性，不与淀粉样蛋白β结合，特异性地与据报道是τ蛋白聚集体的τ病变的早期阶段病因相关，因此可以作为用于早期诊断包括阿尔茨海默病在内的τ病变的τ蛋白纤维检测的荧光探针，发挥有效的作用。
• [EN] PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS<br/>[FR] PYRROLOPYRIMIDINE AMINES EN TANT QU'INHIBITEURS DU COMPLÉMENT
  申请人：BIOCRYST PHARM INC

  公开号：WO2021202977A1

  公开（公告）日：2021-10-07

  Disclosed are compounds of formula (I), and pharmaceutically acceptable salts thereof, which are inhibitors of the complement system. Also provided are pharmaceutical compositions comprising such a compound, and methods of using the compounds and compositions in the treatment or prevention of a disease or condition characterized by aberrant complement system activity.

  本文披露了式（I）的化合物及其药用盐，这些化合物是裂解系统的抑制剂。还提供了包含这种化合物的药物组合物，以及使用这些化合物和组合物治疗或预防由异常裂解系统活动特征的疾病或状况的方法。
• [EN] SPIROHETEROCYCLIC DERIVATIVES AS CRHR2 ANTAGONIST<br/>[FR] DÉRIVÉS SPIROHÉTÉROCYCLIQUES UTILISÉS COMME ANTAGONISTES DE CRHR2
  申请人：RAQUALIA PHARMA INC

  公开号：WO2021145401A1

  公开（公告）日：2021-07-22

  The present invention relates to spiroheterocyclic derivatives which have antagonistic activities against CRHR2, and which are useful in the treatment or prevention of disorders and diseases in which CRHR2 is involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CRHR2 is involved.

  本发明涉及对CRHR2具有拮抗活性的螺环杂环衍生物，用于治疗或预防涉及CRHR2的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CRHR2的疾病中使用这些化合物和组合物。
• Vinylic MIDA Boronates: New Building Blocks for the Synthesis of Aza-Heterocycles
  作者：Sabin Llona-Minguez、Matthieu Desroses、Artin Ghassemian、Sylvain A. Jacques、Lars Eriksson、Rebecka Isacksson、Tobias Koolmeister、Pål Stenmark、Martin Scobie、Thomas Helleday

  DOI：10.1002/chem.201406549

  日期：2015.5.11

  A two‐step synthesis of structurally diverse pyrrole‐containing bicyclic systems is reported. ortho‐Nitro‐haloarenes coupled with vinylic N‐methyliminodiacetic acid (MIDA) boronates generate ortho‐vinyl‐nitroarenes, which undergo a “metal‐free” nitrene insertion, resulting in a new pyrrole ring. This novel synthetic approach has a wide substrate tolerance and it is applicable in the preparation of

  报道了结构多样的含吡咯的双环体系的两步合成。邻硝基硝基卤代芳烃与乙烯基N甲基亚氨基二乙酸（MIDA）硼酸酯结合生成邻乙烯基乙烯基硝基芳烃，该芳基经过“无金属”腈插入，从而形成新的吡咯环。这种新颖的合成方法具有广泛的底物耐受性，可用于制备更复杂的“类药物”分子。有趣的是，邻硝基硝基芳烃衍生物具有环状β-氨基膦酸酯基序。