2-肼基喹喔啉 | 61645-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-肼基喹喔啉
• 中文别名: 2-肼基喹噁啉
• 英文名称: 2-hydrazinoquinoxaline
• 英文别名: 2-hydrazinylquinoxaline；quinoxalin-2-yl-hydrazine；quinoxalin-2-ylhydrazine
• CAS: 61645-34-9
• 化学式: C₈H₈N₄
• mdl: MFCD00085165
• 分子量: 160.178
• InChiKey: GULVDPYLWVXKGC-UHFFFAOYSA-N

物化性质

• 熔点：
  170-172°C
• 沸点：
  353.3±25.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2933990090
• 储存条件：
  2-8°C

SDS

Name:	2-Hydrazinoquinoxaline Material Safety Data Sheet
Synonym:	None know
CAS:	61645-34-9

Section 1 - Chemical Product MSDS Name:2-Hydrazinoquinoxaline Material Safety Data Sheet
Synonym:None know

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61645-34-9	2-Hydrazinoquinoxaline	97+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
May cause eye irritation. Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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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. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 61645-34-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Light orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 170 - 172 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: C8H8N4
Molecular Weight: 160.18

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 61645-34-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Hydrazinoquinoxaline - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 61645-34-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61645-34-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61645-34-9 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：

  2-肼基喹喔啉 在 copper dichloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.41h， 生成 1-propyl-1,2,4-triazolo[4,3-a]quinoxaline
  参考文献：
  名称：

  A convenient new synthesis of fused 1,2,4-triazoles: the oxidation of heterocyclic hydrazones using copper dichloride

  摘要：

  A series of 1,2,4-triazoles have been prepared by oxidative intramolecular cyclization of heterocyclic hydrazones with copper dichloride. General applicability of this simple transformation was confirmed by the synthesis of moderate to high yields of 1,2,4-triazolo[4,3-a]pyridines, 1,2,4-triazolo[4,3-a]pyrimidines, 1,2,4-triazolo[4,3-b]pyridazines, 1,2,4-triazolo[4,3-a]phthalazines, and 1,2,4-triazolo[4,3-a]quinoxalines. A 1,2,4-triazolo[4,3-e]purine-6,8(7H)-dione was obtained in a lower yield. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.111
• 作为产物：
  描述：

  邻苯二胺 在 一水合肼 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 170.0~200.0 ℃ 、2.5 MPa 条件下， 反应 3.5h， 生成 2-肼基喹喔啉
  参考文献：
  名称：

  具有乙酰胆碱酯酶和单胺氧化酶的多功能喹喔啉-衍生物具有抑制阿尔茨海默氏病的作用

  摘要：

  由于AD的多因素性质，多靶分子被认为是治疗AD的有效方法，而不是经典的单药一靶策略。各种研究表明，几种酶抑制剂可用于治疗AD，包括乙酰胆碱酯酶（AchE），丁酰胆碱酯酶（BuChE）和单胺氧化酶（MAO）。合成了各种取代的喹喔啉-衍生物，并研究了它们的体外活性，包括AChE / BuChE抑制活性和MAOA / B抑制活性。根据实验结果，化合物5l对AchE（IC 50  = 0.028±0.001μM）和单胺氧化酶B（IC50 = 0.046±0.002μM）均表现出良好的抑制效力。分子模型研究表明5l可以与AChE和MAO-B的活性位点结合。综上所述，这些结果表明化合物5l可能是用于治疗AD的潜在多功能剂。

  DOI：

  10.1007/s00044-020-02541-4

文献信息

• Solid-phase versus solution synthesis of asymmetrically disubstituted furazano[3,4-b]pyrazines
  作者：E. Fernández、S. Garcı́a-Ochoa、S. Huss、A. Mallo、J.M. Bueno、F. Micheli、A. Paio、E. Piga、P. Zarantonello

  DOI：10.1016/s0040-4039(02)00913-9

  日期：2002.7

  Herein we describe a straightforward solid-phase synthesis directed towards the preparation of families of asymmetrically disubstituted furazano[3,4-b]pyrazines by stepwise displacement of the two chlorine atoms in 5,6-dichlorofurazano[3,4-b]pyrazine by nucleophiles. This synthesis has avoided selectivity problems found in solution chemistry.

  本文中，我们描述针对对称二取代furazano [3,4的家庭的制备简单的固相合成b在5,6- dichlorofurazano [3,4]由两个氯原子的逐步位移吡嗪b ]吡嗪通过亲核试剂。该合成避免了在溶液化学中发现的选择性问题。
• TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE
  申请人：Hutchinson John Howard

  公开号：US20070173508A1

  公开（公告）日：2007-07-26

  Described herein are compounds and pharmaceutical compositions containing such compounds, which inhibit the activity of 5-lipoxygenase (5-LO). Also described herein are methods of using such 5-LO inhibitors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other leukotriene-dependent or leukotriene mediated conditions, diseases, or disorders.

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物抑制5-脂氧合酶（5-LO）的活性。本文还描述了使用这种5-LO抑制剂的方法，单独或与其他化合物结合，用于治疗呼吸系统、心血管系统和其他依赖或介导白三烯的状况、疾病或紊乱。
• Hydrazide and alkoxyamide angiogenesis inhibitors
  申请人：——

  公开号：US20020002152A1

  公开（公告）日：2002-01-03

  Compounds having the formula 1 are methionine aminopeptidase type 2 (MetAP2) inhibitors and are useful for inhibiting angiogenesis. Also disclosed are MetAP2-inhibiting compositions and methods of inhibiting angiogenesis in a mammal.

  具有以下化学式的化合物是蛋氨酸氨肽酶2型（MetAP2）抑制剂，对抑制血管生成有用。还公开了抑制MetAP2的组合物和在哺乳动物中抑制血管生成的方法。
• SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS
  申请人：Thede Kai

  公开号：US20120264704A1

  公开（公告）日：2012-10-18

  The present application relates to novel substituted dihydropyrazolone derivatives, processes for their preparation, their use for treatment and/or prophylaxis of diseases and their use for the preparation of medicaments for treatment and/or prophylaxis of diseases, in particular cardiovascular and hematological diseases and kidney diseases, and for promoting wound healing.

  本申请涉及新颖的取代二氢吡唑酮衍生物，其制备方法，其用于治疗和/或预防疾病的用途，以及用于制备治疗和/或预防疾病的药物，特别是心血管和血液病以及肾脏疾病，并促进伤口愈合。
• Metal free [4+1] and [5+1] annulation reactions to prepare heterocycles using DMF and its derivatives as one-carbon source
  作者：Yiwen Xu、Bei Shen、Lingfeng Liu、Chunhua Qiao

  DOI：10.1016/j.tetlet.2020.151844

  日期：2020.5

  in a variety of pharmaceutical and agrochemical agents. Herein, we report a highly efficient and practical method using DMF and its derivative for the [4+1] and [5+1] annulation reactions to prepare these heterocycles. This metal free reaction takes advantages of shelf stable DMF as solvent and carbon donor, imidazole chloride as catalyst, the mild reaction condition tolerates a broad substrate range

  1,2,4-三唑并[3,4- a ]吡啶和相关的杂环以及取代的三嗪是在各种药物和农用化学试剂中普遍发现的支架。在这里，我们报告了一种高效且实用的方法，该方法使用DMF及其衍生物进行[4 + 1]和[5 + 1]环化反应，以制备这些杂环。这种无金属的反应利用了贮存稳定的DMF作为溶剂和碳供体，使用咪唑氯化物作为催化剂的优势，温和的反应条件可耐受广泛的底物范围并替代。制备的3-未取代的1,2,4-三唑并[3,4- a ]吡啶和衍生物允许在3-位进一步引入各种官能团。