3-溴-2-(甲基硫代)吡啶 | 51933-77-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 3-溴-2-(甲基硫代)吡啶
• 中文别名: 3-溴-2-甲巯基吡啶；2-甲硫基-3-溴吡啶
• 英文名称: 3-bromo-2-(methylthio)pyridine
• 英文别名: 3-bromo-2-(methylsulfanyl)pyridine；3-bromo-2-methylsulfanylpyridine
• CAS: 51933-77-8
• 化学式: C₆H₆BrNS
• 分子量: 204.09
• InChiKey: UZRUCGBRGXJVHQ-UHFFFAOYSA-N

物化性质

• 沸点：
  131-132℃ (22 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-2-(methylthio)pyridine
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-2-(methylthio)pyridine
CAS number: 51933-77-8

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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.
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: C6H6BrNS
Molecular weight: 204.1

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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, sulfur oxides.

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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-溴-2-(甲基硫代)吡啶 在 2,2,6,6-四甲基哌啶 、 正丁基锂 、 lithium chloride 、 magnesium chloride 、 碘 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.16h， 以87%的产率得到3-bromo-4-iodo-2-(methylthio)pyridine
  参考文献：
  名称：

  ZnCl2和其他金属盐存在下用TMPLi进行功能化芳烃和杂芳烃的新型原位俘获金属化

  摘要：

  在-78°C下将TMPLi添加到芳族或杂芳族底物与金属盐（例如MgCl 2，ZnCl 2或CuCN）的混合物中，首先导致芳烃的锂化，然后用金属盐进行金属转移以提供官能化的有机金属Mg，Zn或Cu的化合物。这种原位俘获方法可以加快一系列敏感吡啶（带有硝基，酯或氰基）的金属化（-78°C，5分钟），并可以制备功能化芳族化合物或杂环的动态区域异构体可通过标准金属化剂（如TMPMgCl·LiCl或TMPZnCl·LiCl）获得。

  DOI：

  10.1002/anie.201403688
• 作为产物：
  描述：

  3-溴-2-氯吡啶 、 sodium thiomethoxide 在 水 、 乙酸乙酯 、 Brine 、 magnesium sulfate 作用下， 以 四氢呋喃 为溶剂， 反应 7.0h， 生成 3-溴-2-(甲基硫代)吡啶
  参考文献：
  名称：

  Benzimidazole Derivatives

  摘要：

  化合物公式(I)或其药物可接受的盐或前药酯，其中R，X和Y如规范所述，适用于治疗骨质疏松症。

  公开号：

  US20100227889A1

文献信息

• PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20180127370A1

  公开（公告）日：2018-05-10

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• [EN] PHENYL mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE MTORC PHÉNYLE ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089433A1

  公开（公告）日：2018-05-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• THIOAZOLE AND OXAZOLE CARBENE METAL COMPLEXES AS PHOSPHORESCENT OLED MATERIALS
  申请人：Tsai Jui-Yi

  公开号：US20120212126A1

  公开（公告）日：2012-08-23

  Compounds are provided that comprise a heterocyclic carbene ligand. In particular, an oxazole or a thioazole carbene are used in place of the traditional imidazole carbene. These compounds may be used in OLEDs to provide devices having improved properties, such as stability and color-tuning. Additionally, a novel methodology to synthesize heterocyclic carbene metal complexes is provided.

  本发明提供了一种包含杂环卡宾配体的化合物。特别地，氧唑或噻唑卡宾被用来代替传统的咪唑卡宾。这些化合物可用于有机发光二极管（OLED）中，以提供具有改善性能（如稳定性和颜色调节）的设备。此外，本发明还提供了一种新的合成杂环卡宾金属配合物的方法。
• METHOD OF MAKING ORGANIC ELECTROLUMINESCENT MATERIALS
  申请人：Universal Display Corporation

  公开号：US20150188062A1

  公开（公告）日：2015-07-02

  A method of forming compounds that comprise a heterocyclic carbene ligand is provided. In particular, an oxazole or a thioazole carbene are used in place of the traditional imidazole carbene. These compounds may be used in OLEDs to provide devices having improved properties, such as stability and color-tuning.

  提供了一种形成包含杂环卡宾配体的化合物的方法。特别地，使用噁唑或硫噁唑卡宾代替传统的咪唑卡宾。这些化合物可用于OLED中，以提供具有改善性能（如稳定性和色调）的设备。
• 一种咪唑并吡啶衍生物的P2X3受体选择性调节剂及其药物用途
  申请人：苏州璞正医药有限公司

  公开号：CN115043836B

  公开（公告）日：2023-07-18

  本发明涉及一种咪唑并吡啶衍生物的P2X3受体选择性调节剂，具体的，涉及如式I所示的化合物及其消旋体、立体异构体、互变异构体、同位素标记物、溶剂化物、多晶型物、酯、前药或其药学上可接受的盐，以及包含其的药物组合物，其制备方法，及其医药用途，所述式I结构如下：