4-(砒啶-3-基磺酰)吗啉 | 26103-48-0

• 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: 4-(砒啶-3-基磺酰)吗啉
• 中文别名: 4-(吡啶-3-基磺酰基)吗啉
• 英文名称: 3-Morpholinosulfonylpyridine
• 英文别名: 4-(pyridin-3-ylsulfonyl)morpholine；Pyridin-3-sulfonsaeure-morpholid；4-(pyridine-3-sulfonyl)-morpholine；4-pyridin-3-ylsulfonylmorpholine
• CAS: 26103-48-0
• 化学式: C₉H₁₂N₂O₃S
• 分子量: 228.272
• InChiKey: BYBGTJZHRACDCL-UHFFFAOYSA-N

物化性质

• 熔点：
  120 °C
• 沸点：
  404.0±55.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 危险性防范说明：
  P264,P270,P301+P312,P305+P351+P338,P330,P337+P313,P501
• 危险性描述：
  H302,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Pyridin-3-ylsulfonyl)morpholine
Synonyms: 4-(3-Pyridinylsulfonyl)morpholine

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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: 4-(Pyridin-3-ylsulfonyl)morpholine
CAS number: 26103-48-0

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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: C9H12N2O3S
Molecular weight: 228.3

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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：

  4-(砒啶-3-基磺酰)吗啉 在 二氧化铂 氢气 、 水 、 溶剂黄146 、 二氧化铂 、 solution 、 二氯甲烷 、 sodium hydroxide 、 xylenes 、 Sodium sulfate-III 作用下， 以 乙醇 、 水 为溶剂， 60.0 ℃ 、45.96 MPa 条件下， 反应 86.0h， 以to give 4-(piperidine-3-sulfonyl)-morpholine as a waxy orange solid (1.3 g, 22%)的产率得到4-(piperidine-3-sulfonyl)-morpholine
  参考文献：
  名称：

  Acetyl-CoA carboxylase inhibitors

  摘要：

  乙酰辅酶A羧化酶抑制剂，含有这种化合物的制药组合物以及使用这种化合物治疗代谢综合征，包括动脉粥样硬化、糖尿病和肥胖症的用途。

  公开号：

  US06979741B2
• 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 4-(砒啶-3-基磺酰)吗啉
  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

• Copper-catalyzed electrophilic amination of sodium sulfinates at room temperature
  作者：Haibo Zhu、Yajing Shen、Qinyue Deng、Tao Tu

  DOI：10.1039/c5cc06069a

  日期：——

  By using O-benzoyl hydroxylamines as amine source, the first convenient copper-catalyzed electrophilic amination of sodium sulfinates has been realized. Even with 2 mol% catalyst loading, the protocol provided an efficient...

  通过使用O-苯甲酰基羟胺作为胺源，已经实现了第一个方便的铜催化亚磺酸钠的亲电胺化反应。即使载有2 mol％的催化剂，该方案仍可提供有效的...
• Azine Activation via Silylium Catalysis
  作者：Carla Obradors、Benjamin List

  DOI：10.1021/jacs.1c03257

  日期：2021.5.12

  efficient, and general methods for the diversification of N-heterocycles have been a recurrent goal in chemical synthesis due to the ubiquitous influence of these motifs within bioactive frameworks. Here, we describe a direct, catalytic, and selective functionalization of azines via silylium activation. Our catalyst design enables mild conditions and a remarkable functional group tolerance in a one-pot

  由于这些基序在生物活性框架内的普遍影响，用于N-杂环多样化的实用、有效和通用的方法一直是化学合成中的一个反复目标。在这里，我们描述了通过硅烷活化对吖嗪进行直接、催化和选择性的功能化。我们的催化剂设计能够在一锅设置中实现温和的条件和显着的官能团耐受性。
• [EN] FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE<br/>[FR] COMPOSÉS BICYCLIQUES FUSIONNÉS UTILISÉS COMME INHIBITEURS DE LA PI3 KINASE
  申请人：MERCK SERONO SA

  公开号：WO2010100144A1

  公开（公告）日：2010-09-10

  The invention relates to compounds of formula (I) for the regulation of phosphoinositides 3-kinases activity and related diseases.

  该发明涉及用于调节磷脂酰肌醇3-激酶活性及相关疾病的化合物（I）的公式。
• A general and mild two-step procedure for the synthesis of aryl and heteroaryl sulfonamides from the corresponding iodides
  作者：Danny K.H. Ho、Lily Chan、Alice Hooper、Paul E. Brennan

  DOI：10.1016/j.tetlet.2010.12.050

  日期：2011.2

  A mild two-step preparation of aryl and heteroaryl sulfonyl chlorides and sulfonamides from their corresponding iodides is developed. Acid labile functionalities are shown to be stable under both the copper-catalysed coupling and the subsequent oxidative chlorination.

  开发了由温和的两步法从相应的碘化物制备芳基和杂芳基磺酰氯和磺酰胺。酸不稳定的官能团在铜催化的偶合和随后的氧化氯化作用下均显示稳定。
• [EN] ACC INHIBITORS<br/>[FR] INHIBITEURS DE L'ACETYL-COA-CARBOXYLASE
  申请人：PFIZER PROD INC

  公开号：WO2003072197A1

  公开（公告）日：2003-09-04

  Acetyl Coenzyme A Carboxylase inhibitors of formula (1), pharmaceutical compositions containing such compounds and the use of such compounds to treat for example, Metabolic Syndrome including atherosclerosis, diabetes and obesity.

  Acetyl辅酶A羧化酶抑制剂的化学式（1），含有这些化合物的药物组合物以及使用这些化合物治疗代谢综合症，包括动脉粥样硬化，糖尿病和肥胖症的用途。