3-氨基异噁唑并[4,5-b]吡嗪 | 81411-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶唑并吡嗪类
• 中文名称: 3-氨基异噁唑并[4,5-b]吡嗪
• 中文别名: 异恶唑并[4,5-B]吡嗪-3-胺
• 英文名称: 3-aminoisoxazolo(4,5-b)pyrazine
• 英文别名: isoxazolo[4,5-b]pyrazin-3-amine；3-Aminoisoxazolo[4,5-b]pyrazine；[1,2]oxazolo[4,5-b]pyrazin-3-amine
• CAS: 81411-79-2
• 化学式: C₅H₄N₄O
• mdl: MFCD09999209
• 分子量: 136.113
• InChiKey: WKOSBXIJGCIJII-UHFFFAOYSA-N

物化性质

• 熔点：
  207-208 °C(Solv: ethanol (64-17-5))
• 沸点：
  350.0±37.0 °C(Predicted)
• 密度：
  1.541±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Aminoisoxazolo[4,5-b]pyrazine
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-Aminoisoxazolo[4,5-b]pyrazine
CAS number: 81411-79-2

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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, refrigerated.
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: C5H4N4O
Molecular weight: 136.1

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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：

  3-氨基异噁唑并[4,5-b]吡嗪 在 甲酸 作用下， 反应 3.0h， 以47%的产率得到1,2-二氢-2-氧代-3-氰基吡嗪
  参考文献：
  名称：

  Nachbargruppenbeteiligung bei der Bildung von kondensierten Azinen. Über die Darstellung von Derivaten von Pyrazolo(3,4-b)pyrazin, Isoxazolo(4,5-b)pyrazin und Isothiazolo(5,4-b)pyridin. (Heterocyclen, 210. Mitt.)

  摘要：

  DOI：

  10.1007/bf00809014
• 作为产物：
  描述：

  2-氯-3-氰基吡嗪 在 乙酰氧肟酸 、 potassium carbonate 作用下， 以 水 为溶剂， 反应 16.0h， 以92%的产率得到3-氨基异噁唑并[4,5-b]吡嗪
  参考文献：
  名称：

  制备异恶唑并吡啶-3-胺衍生物的高产率方法

  摘要：

  已经开发出一种高效且绿色的方法，用于以优异的产率快速制备高度官能化的异恶唑并吡啶-3-胺衍生物。该工艺具有广泛的基材范围，在操作上...

  DOI：

  10.1039/c6gc01125j

文献信息

• Kocevar, Marjan; Tisler, Miha; Stanovnik, Branko, Heterocycles, 1982, vol. 19, # 2, p. 339 - 342
  作者：Kocevar, Marjan、Tisler, Miha、Stanovnik, Branko

  DOI：——

  日期：——
• KOCEVAR, M.;VERCEK, B.;STANOVNIK, B.;TISLER, M., MONATSH. CHEM., 1982, 113, N 6-7, 731-744
  作者：KOCEVAR, M.、VERCEK, B.、STANOVNIK, B.、TISLER, M.

  DOI：——

  日期：——
• KOCEVAR, M.;TISLER, M.;STANOVNIK, B., HETEROCYCLES, 1982, 19, N 2, 339-342
  作者：KOCEVAR, M.、TISLER, M.、STANOVNIK, B.

  DOI：——

  日期：——
• A high-yielding method for the preparation of isoxazolopyridin-3-amine derivatives
  作者：Wensheng Yu、Paul G. Bulger、Kevin M. Maloney

  DOI：10.1039/c6gc01125j

  日期：——

  A highly efficient and green method has been developed for the rapid preparation of highly functionalized isoxazolopyridin-3-amine derivatives in excellent yields. This process has a broad substrate scope, is operationally...

  已经开发出一种高效且绿色的方法，用于以优异的产率快速制备高度官能化的异恶唑并吡啶-3-胺衍生物。该工艺具有广泛的基材范围，在操作上...
• Nachbargruppenbeteiligung bei der Bildung von kondensierten Azinen. Über die Darstellung von Derivaten von Pyrazolo(3,4-b)pyrazin, Isoxazolo(4,5-b)pyrazin und Isothiazolo(5,4-b)pyridin. (Heterocyclen, 210. Mitt.)
  作者：Marjan Kočevar、Bojan Verček、Branko Stanovnik、Miha Tišler

  DOI：10.1007/bf00809014

  日期：1982.6