2,3-二氢-[1,4]二噁英并[2,3-b]吡啶-7-酚 | 1261365-65-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,3-二氢-[1,4]二噁英并[2,3-b]吡啶-7-酚
• 中文别名: 2,3-二氢-[1,4]二氧杂芑并[2,3-B]吡啶-7-醇
• 英文名称: 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ol
• CAS: 1261365-65-4
• 化学式: C₇H₇NO₃
• 分子量: 153.137
• InChiKey: SKESGGPLKXRSFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  51.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  3
• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-ol
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: 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-ol
CAS number: 1261365-65-4

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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: C7H7NO3
Molecular weight: 153.1

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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.

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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：

  2,3-二氢-[1,4]二噁英并[2,3-b]吡啶-7-酚 、 溴代十二烷 以 乙腈 为溶剂， 反应 48.0h， 以58%的产率得到5-dodecyl-7-hydroxy-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-5-ium bromide
  参考文献：
  名称：

  基于2,3-二氢-[1,4]二恶英[2,3-b]吡啶-7-ol环的新型季铵表面活性剂系列：合成，分析和抗菌评估

  摘要：

  背景：季铵化合物（QAC）是重要的化学个体，在许多工业或科学领域中得到广泛使用。表面活性阳离子表面活性剂是众所周知的消毒剂。它对革兰氏阳性，革兰氏阴性细菌，酵母菌和某些病毒的有效性已在许多制剂中使用。另一方面，抗药性的出现是新物质需求增加的原因。 方法：合成了一系列5-烷基-7-羟基-2,3-二氢-[1,4]二恶英[2,3-b]吡啶-5-溴化物作为新型潜在的抗菌剂。已经使用了亲核取代类型的反应。已经测试了该新型化合物作为针对细菌和真菌的消毒剂。微稀释肉汤法用于抗菌评估。标准MTT测试用于细胞毒性评估。 结果：我们制备了5种基于2,3-二氢-[1,4]二恶英[2,3-b]吡啶-7-ol的新化合物，这些化合物在季氮原子上具有不同的亲脂性烷基链长度（C10-18） 。化合物具有分析数据（NMR，HRMS）进行表征，并被评估为针对病原性真菌和细菌菌株的广谱抗菌剂。我们仅对几种抗菌菌株（金黄色葡萄球

  DOI：

  10.2174/1570178614666171002145959

文献信息

• Novel Series of Quaternary Ammonium Surfactants Based on 2,3-Dihydro- [1,4]dioxino[2,3-b]pyridin-7-ol Ring: Synthesis, Analysis and Antimicrobial Evaluation
  作者：Jan Marek、David Malinak、Rafael Dolezal、Ondrej Soukup、Marketa Benkova、Petr Nachtigal、Petr Vavra、Kamil Kuca

  DOI：10.2174/1570178614666171002145959

  日期：2017.12.11

  disinfection agents. Its effectivity against gram-positive, gramnegative bacteria, yeasts and some viruses is already used in many preparations. On the other hand, the emergence of resistance is the cause of an increasing necessity of new substances. Methods: The series of 5-alkyl-7-hydroxy-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-5-ium bromides has been synthesized as a novel potential antimicrobial agent.

  背景：季铵化合物（QAC）是重要的化学个体，在许多工业或科学领域中得到广泛使用。表面活性阳离子表面活性剂是众所周知的消毒剂。它对革兰氏阳性，革兰氏阴性细菌，酵母菌和某些病毒的有效性已在许多制剂中使用。另一方面，抗药性的出现是新物质需求增加的原因。 方法：合成了一系列5-烷基-7-羟基-2,3-二氢-[1,4]二恶英[2,3-b]吡啶-5-溴化物作为新型潜在的抗菌剂。已经使用了亲核取代类型的反应。已经测试了该新型化合物作为针对细菌和真菌的消毒剂。微稀释肉汤法用于抗菌评估。标准MTT测试用于细胞毒性评估。 结果：我们制备了5种基于2,3-二氢-[1,4]二恶英[2,3-b]吡啶-7-ol的新化合物，这些化合物在季氮原子上具有不同的亲脂性烷基链长度（C10-18） 。化合物具有分析数据（NMR，HRMS）进行表征，并被评估为针对病原性真菌和细菌菌株的广谱抗菌剂。我们仅对几种抗菌菌株（金黄色葡萄球