3-(哌啶-1-基磺酰)砒啶 | 26103-49-1

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 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-(哌啶-1-基磺酰)砒啶
• 中文别名: 3-(1-磺酰基哌啶)吡啶
• 英文名称: 1-(3-pyridinylsulfonyl)piperidine
• 英文别名: 3-Piperidinosulfonylpyridine；3-(piperidin-1-ylsulfonyl)pyridine；N,N-Pentamethylen-pyridin-3-sulfonamid；Pyridin-3-sulfonsaeure-piperidid；1-(pyridine-3-sulfonyl)-piperidine；3-piperidin-1-ylsulfonylpyridine
• CAS: 26103-49-1
• 化学式: C₁₀H₁₄N₂O₂S
• 分子量: 226.299
• InChiKey: YVNUZIJEPPTRCL-UHFFFAOYSA-N

物化性质

• 熔点：
  88-89 °C
• 沸点：
  381.3±34.0 °C(Predicted)
• 密度：
  1.271±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2935009090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-(Piperidin-1-ylsulfonyl)pyridine
Synonyms: 3-(1-Piperidinylsulfonyl)pyridine; 1-(Pyridin-3-ylsulfonyl)piperidine

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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-(Piperidin-1-ylsulfonyl)pyridine
CAS number: 26103-49-1

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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: C10H14N2O2S
Molecular weight: 226.3

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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, 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-(哌啶-1-基磺酰)砒啶 在 manganese(IV) oxide 、 正丁基锂 、 二异丙胺 作用下， 以 甲苯 为溶剂， 反应 27.0h， 生成 Benzo[1,3]dioxol-5-yl-[3-(piperidine-1-sulfonyl)-pyridin-4-yl]-methanone
  参考文献：
  名称：

  Regioselective Lithiation of 3-Pyridylsulfonic Acid Derivatives: A Convenient Route to Various New 4-Substituted 3-Pyridylsulfonamides

  摘要：

  DOI：

  10.1055/s-1983-30528
• 作为产物：
  描述：

  3-吡啶磺酸 在 五氯化磷 作用下， 以 苯 为溶剂， 反应 3.5h， 生成 3-(哌啶-1-基磺酰)砒啶
  参考文献：
  名称：

  Regioselective Lithiation of 3-Pyridylsulfonic Acid Derivatives: A Convenient Route to Various New 4-Substituted 3-Pyridylsulfonamides

  摘要：

  DOI：

  10.1055/s-1983-30528

文献信息

• Palladium-Catalyzed Sulfination of Aryl and Heteroaryl Halides: Direct Access to Sulfones and Sulfonamides
  作者：Andrei Shavnya、Steven B. Coffey、Aaron C. Smith、Vincent Mascitti

  DOI：10.1021/ol403072r

  日期：2013.12.20

  A novel palladium-catalyzed sulfination of aryl and heteroaryl halides is described. This reaction operates under mild conditions and provides access to a wide range of aryl and heteroaryl sulfinates, a useful and versatile class of synthetic intermediates. Capitalizing on this sulfination reaction, one-pot protocols allowing direct access to sulfones and sulfonamides have also been developed. The

  描述了新颖的钯催化的芳基和杂芳基卤化物的硫化。该反应在温和的条件下进行，并提供了广泛的芳基和杂芳基亚磺酸盐，这是一种有用且用途广泛的合成中间体。利用这种硫化反应，还开发了一种一锅法，可以直接使用砜和磺酰胺。这些转化的实用性通过药物万艾可类似物的平行合成得到了说明。
• A General and Efficient Synthesis of Sulfonylbenzotriazoles from <i>N</i>-Chlorobenzotriazole and Sulfinic Acid Salts
  作者：Alan R. Katritzky、Valerie Rodriguez-Garcia、Satheesh K. Nair

  DOI：10.1021/jo035515y

  日期：2004.3.1

  One-pot reactions of sulfinic acid salts (produced from organometallic reagents with SO2) with N-chlorobenzotriazole gave the corresponding N-alkane-, N-arene-, and N-heteroenesulfonylbenzotriazoles 3a-j in 41-93% yields. Reagents 3a-j are efficient sulfortylating agents, reacting at 20-80 degreesC with various primary and secondary aliphatic amines to yield the corresponding sulfonamides in 64-100% yields.
• BREANT, P.;MARSAIS, F.;QUEGUINER, G., SYNTHESIS, BRD, 1983, N 10, 822-824
  作者：BREANT, P.、MARSAIS, F.、QUEGUINER, G.

  DOI：——

  日期：——