1,4-二羟基八氢喹噁啉-2,3-二酮 | 286409-64-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,4-二羟基八氢喹噁啉-2,3-二酮
• 英文名称: 1,4-Dihydroxyoctahydroquinoxaline-2,3-dione
• 英文别名: 1,4-dihydroxy-4a,5,6,7,8,8a-hexahydroquinoxaline-2,3-dione
• CAS: 286409-64-1
• 化学式: C₈H₁₂N₂O₄
• mdl: MFCD01552747
• 分子量: 200.194
• InChiKey: QBIMPGNQKASPJE-UHFFFAOYSA-N

物化性质

• 熔点：
  243 °C
• 沸点：
  394.6±25.0 °C(Predicted)
• 密度：
  1.569±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25

SDS

Name:	1 4-Dihydroxyoctahydroquinoxaline-2 3-dione 97% Material Safety Data Sheet
Synonym:
CAS:	286409-64-1

Section 1 - Chemical Product MSDS Name:1 4-Dihydroxyoctahydroquinoxaline-2 3-dione 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
286409-64-1	1,4-Dihydroxyoctahydroquinoxaline-2,3-	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 286409-64-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 243 - 245 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H12N2O4
Molecular Weight: 200

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 286409-64-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,4-Dihydroxyoctahydroquinoxaline-2,3-dione - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 286409-64-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 286409-64-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 286409-64-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,4-二羟基八氢喹噁啉-2,3-二酮 在 盐酸 、 水 、 三乙胺 、 sodium nitrite 作用下， 以 甲醇 、 乙醚 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.67h， 生成
  参考文献：
  名称：

  Intramolecular Cyclization of 1,2-bis(N-alkoxy-N-nitrosoamino)alkanes: A Unique Route to 4,5-Dihydro-1,2,3-triazole 2-Oxides

  摘要：

  通过相应的 1,2- 双烷氧基胺 4 的亚硝基化反应得到的 1,2-双（N-烷氧基-N-亚硝基）胺 7 在甲醇回流条件下顺利转化为 1-烷氧基-4,5-二氢-1,2,3-三唑 2-氧化物 8，产量很高。通过 1-烷氧基-4,5-二氢-1,2,3-三唑 2-氧化物 8 与甲醇钠的反应，得到了新型三唑氧化物 4H-1,2,3-三唑 2-氧化物 9 和 2-羟基-2H-1,2,3-三唑 10。

  DOI：

  10.1055/s-2000-6399
• 作为产物：
  描述：

  草酸二乙酯 、 N,N'-dihydroxycyclohexane-1,2-diamine 以 乙醇 为溶剂， 生成 1,4-二羟基八氢喹噁啉-2,3-二酮
  参考文献：
  名称：

  Intramolecular Cyclization of 1,2-bis(N-alkoxy-N-nitrosoamino)alkanes: A Unique Route to 4,5-Dihydro-1,2,3-triazole 2-Oxides

  摘要：

  通过相应的 1,2- 双烷氧基胺 4 的亚硝基化反应得到的 1,2-双（N-烷氧基-N-亚硝基）胺 7 在甲醇回流条件下顺利转化为 1-烷氧基-4,5-二氢-1,2,3-三唑 2-氧化物 8，产量很高。通过 1-烷氧基-4,5-二氢-1,2,3-三唑 2-氧化物 8 与甲醇钠的反应，得到了新型三唑氧化物 4H-1,2,3-三唑 2-氧化物 9 和 2-羟基-2H-1,2,3-三唑 10。

  DOI：

  10.1055/s-2000-6399

文献信息

• N-HYDROXYISOQUINOLINEDIONE INHIBITORS OF HBV REPLICATION
  申请人：Saint Louis University

  公开号：US20190070165A1

  公开（公告）日：2019-03-07

  In some aspects, the present disclosure provides compounds of the formula: Formula (I) wherein the variables are defined herein are provided, which may be used to inhibit viral replication. In some embodiments, these compounds may be used to treat an infection of hepatitis B virus.
• Intramolecular Cyclization of 1,2-bis(N-alkoxy-N-nitrosoamino)alkanes: A Unique Route to 4,5-Dihydro-1,2,3-triazole 2-Oxides
  作者：Vadim K. Khlestkin、Dmitrii G. Mazhukin、Alexsei Ya. Tikhonov、Tatyana V. Rybalova、Irina Yu. Bagryanskaya、Yurii V. Gatilov

  DOI：10.1055/s-2000-6399

  日期：——

  1,2-Bis(N-alkoxy-N-nitroso)amines 7 obtained by nitrosation of the corresponding 1,2-bisalkoxyamines 4 were smoothly converted into 1-alkoxy-4,5-dihydro-1,2,3-triazole 2-oxides 8 under reflux in methanol in high yields. 4H-1,2,3-Triazole 2-oxides 9, a novel type of triazole oxides, and 2-hydroxy-2H-1,2,3-triazoles 10 were obtained by the reaction of 1-alkoxy-4,5-dihydro-1,2,3-triazole 2-oxides 8 with sodium methoxide.

  通过相应的 1,2- 双烷氧基胺 4 的亚硝基化反应得到的 1,2-双（N-烷氧基-N-亚硝基）胺 7 在甲醇回流条件下顺利转化为 1-烷氧基-4,5-二氢-1,2,3-三唑 2-氧化物 8，产量很高。通过 1-烷氧基-4,5-二氢-1,2,3-三唑 2-氧化物 8 与甲醇钠的反应，得到了新型三唑氧化物 4H-1,2,3-三唑 2-氧化物 9 和 2-羟基-2H-1,2,3-三唑 10。