1-(5-溴砒啶-2-基羰基)吡咯啉 | 742085-70-7

• 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: 1-(5-溴砒啶-2-基羰基)吡咯啉
• 英文名称: (5-bromopyridin-2-yl)(pyrrolidin-1-yl)methanone
• 英文别名: (5-bromopyridin-2-yl)-pyrrolidin-1-ylmethanone
• CAS: 742085-70-7
• 化学式: C₁₀H₁₁BrN₂O
• 分子量: 255.114
• InChiKey: NREQDJFOSPEEFZ-UHFFFAOYSA-N

物化性质

• 沸点：
  377.8±27.0 °C(Predicted)
• 密度：
  1.534±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(5-Bromopyridin-2-ylcarbonyl)pyrrolidine
Synonyms: (5-Bromopyridin-2-yl)(pyrrolidin-1-yl)methanone

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 1-(5-Bromopyridin-2-ylcarbonyl)pyrrolidine
CAS number: 742085-70-7

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels.

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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.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H11BrN2O
Molecular weight: 255.1

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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.

---

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：

  1-(5-溴砒啶-2-基羰基)吡咯啉 在 lithium aluminium tetrahydride 、 水 、 乙酸乙酯 作用下， 以 乙醚 为溶剂， 反应 0.25h， 生成 5-bromo-2-(pyrrolidin-1-ylmethyl)pyridine
  参考文献：
  名称：

  EP1593667

  摘要：

  公开号：
• 作为产物：
  描述：

  四氢吡咯 、 5-溴-2-吡啶羧酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以61.5%的产率得到1-(5-溴砒啶-2-基羰基)吡咯啉
  参考文献：
  名称：

  一种噻吩并嘧啶类衍生物、其制备方法及其在 医药上的应用

  摘要：

  本发明公开了一种噻吩并嘧啶类衍生物、其制备方法及其在医药上的应用。所述衍生物是具有通式I或通式II或通式III的化合物：上述通式中：Ar为苯基、卤素取代的苯基、C1-6烷基取代的苯基、联苯基、卤素取代的联苯基、萘基、吡啶基、噻吩基、卤素取代的噻吩基、C1-3烷基取代的噻吩基、呋喃基、卤素取代的呋喃基、C1-3烷基取代的呋喃基中的任意一种；A、D、E分别为碳原子或氮原子，但A、D、E不同时为碳原子；R为R1——NH——、本发明提供的噻吩并嘧啶类衍生物具有明显的EGFR抑制活性和抑制A431细胞的活性，可望开发为酪氨酸激酶抑制剂，具有广阔的应用前景和药用价值。

  公开号：

  CN103360407B

文献信息

• TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF
  申请人：CHAN Ho Man

  公开号：US20160176882A1

  公开（公告）日：2016-06-23

  A compound of Formula (I), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating a PRC2-mediated disease or disorder: wherein R 1 , R 2 , R 3 , R 4 , R 5 , and n are as defined herein.

  提供了一种由化合物（I）或其药学上可接受的盐组成的药物，已被证明对治疗PRC2介导的疾病或紊乱有用：其中R1、R2、R3、R4、R5和n的定义如本文所述。
• [EN] IMIDAZOPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS D'IMIDAZOPYRIMIDINE UTILES POUR LE TRAITEMENT DU CANCER
  申请人：NOVARTIS AG

  公开号：WO2017221100A1

  公开（公告）日：2017-12-28

  A compound of Formula (IA), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating a PRC2-mediated disease or disorder: wherein A, R3, R4, R6, and R7 are as defined herein.

  提供了一种具有以下结构式（IA）的化合物，或其药用盐，已被证明对治疗PRC2介导的疾病或紊乱有用：其中A，R3，R4，R6和R7如本文所定义。
• Lactam compounds and methods of using the same
  申请人：Zhuo Jincong

  公开号：US20070129345A1

  公开（公告）日：2007-06-07

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性相关的各种疾病。
• [EN] KINASE MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE KINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ORIGENIS GMBH

  公开号：WO2022011337A1

  公开（公告）日：2022-01-13

  The present invention relates to novel compounds that modulate the activity of one or more kinases, such as TYK2 or mutants thereof. The compounds, which may be kinase inhibitors or activators, are useful for treating autoimmune diseases, such as, such as psoriasis, lupus, multiple sclerosis, and inflammatory bowel disease.

  本发明涉及一种新颖的化合物，可调节一个或多个激酶的活性，例如TYK2或其突变体。这些化合物可能是激酶抑制剂或激活剂，用于治疗自身免疫性疾病，例如银屑病、红斑狼疮、多发性硬化和炎症性肠病。
• AUTOTAXIN INHIBITOR COMPOUNDS
  申请人：ILDONG PHARMACEUTICAL CO., LTD.

  公开号：US20220106311A1

  公开（公告）日：2022-04-07

  The present disclosure provides autotaxin (ATX) inhibitor compounds and compositions including said compounds. The present disclosure also provides methods of using said compounds and compositions for inhibiting ATX. Also provided are methods of preparing said compounds and compositions, and synthetic precursors of said compounds.

  本公开提供了自动脂肪酸酯酶（ATX）抑制剂化合物和包括该化合物的组合物。本公开还提供了使用该化合物和组合物抑制ATX的方法。还提供了制备该化合物和组合物的方法，以及该化合物的合成前体。