S-三唑并[4,3-a]喹啉 | 235-06-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: S-三唑并[4,3-a]喹啉
• 中文别名: 1,2,4-噻唑o[4,3-a]喹啉；1,2,4-三偶氮[4,3]喹啉
• 英文名称: 1,2,4-triazolo[4,3-a]-quinoline
• 英文别名: naphtriazole；s-Triazolo<4,3-a>chinolin；[1,2,4]Triazolo[4,3-a]quinoline
• CAS: 235-06-3
• 化学式: C₁₀H₇N₃
• mdl: MFCD00004949
• 分子量: 169.186
• InChiKey: PIRYKGLQLCKQPG-UHFFFAOYSA-N

物化性质

• 熔点：
  175-177 °C
• 沸点：
  288.47°C (rough estimate)
• 密度：
  1.2396 (rough estimate)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933990090
• 储存条件：
  密封保存，应储存在阴凉干燥的仓库中。

SDS

Name:	S-Triazolo(4 3-a)Quinoline Material Safety Data Sheet
Synonym:	None
CAS:	235-06-3

Section 1 - Chemical Product MSDS Name:S-Triazolo(4 3-a)Quinoline Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
235-06-3	S-triazolo(4,3-a)Quinoline	ca 100	205-943-3

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 235-06-3: 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: Powder
Color: white to light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 175.00 - 177.00 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: C10H7N3
Molecular Weight: 169.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 235-06-3: XZ6158051 LD50/LC50:
Not available.
Carcinogenicity:
S-triazolo(4,3-a)Quinoline - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 235-06-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 235-06-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 235-06-3 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：

  S-三唑并[4,3-a]喹啉 在 N-氯代丁二酰亚胺 作用下， 以 四氯化碳 、 乙醇 为溶剂， 生成 1-Chlor-s-triazolo<4,3-a>chinolin
  参考文献：
  名称：

  Agent for the control of plant-pathogenic organisms

  摘要：

  使用和组合物包括用于控制植物病原体的特定s-三唑(4,3-a)喹啉化合物的方法，其中一些被声明为新化合物。

  公开号：

  US03953457A1
• 作为产物：
  描述：

  2-氯喹啉 在 hydrazine hydrate 、 咪唑盐酸盐 作用下， 以 乙醇 为溶剂， 生成 S-三唑并[4,3-a]喹啉
  参考文献：
  名称：

  使用DMF及其衍生物作为单碳源的无金属[4 + 1]和[5 + 1]环化反应制备杂环

  摘要：

  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。

  DOI：

  10.1016/j.tetlet.2020.151844

文献信息

• 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。
• Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity
  作者：Nicolai A. Aksenov、Alexander V. Aksenov、Nikita K. Kirilov、Nikolai A. Arutiunov、Dmitrii A. Aksenov、Vladimir Maslivetc、Zhenze Zhao、Liqin Du、Michael Rubin、Alexander Kornienko

  DOI：10.1039/d0ob01007c

  日期：——

  2-hydrazinylquinolines, 2-hydrazinylpyridines and bis-2,4-dihydrazinylpyrimidines in polyphosphoric acid (PPA) affording 1,2,4-triazolo[4,3-a]quinolines, 1,2,4-triazolo[4,3-a]pyridines and bis[1,2,4]triazolo[4,3-a:4′,3′-c]pyrimidines, respectively. The reaction expands the scope of heterocyclic annulations involving phosphorylated nitronates, believed to be the electrophilic intermediates formed from nitroalkanes

  我们发现了硝基烷烃与 2-肼基喹啉、2-肼基吡啶和双 2,4-二肼基嘧啶在多磷酸 (PPA) 中的反应，得到 1,2,4-三唑并[4,3- a ]喹啉, 1,2,4 -三唑并[4,3- a ]吡啶和双[1,2,4]三唑并[4,3- a :4′,3′- c]嘧啶，分别。该反应扩大了涉及磷酸化硝酸盐的杂环环化的范围，被认为是由 PPA 中的硝基烷形成的亲电子中间体。几种合成的三唑类化合物通过诱导神经母细胞瘤癌细胞分化而显示出有希望的抗癌活性。由于迫切需要用于神经母细胞瘤治疗的新型分化剂，这一发现值得进一步评估这类化合物对神经母细胞瘤的治疗作用。
• [EN] COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION<br/>[FR] COMPOSES COMPRENANT UNE FRACTION N-HETEROARYLE LIEE A DES FRACTIONS DE NOYAU FUSIONNEES ET DESTINES A L'INHIBITION DES NAD(P)H OXYDASES ET DE L'ACTIVATION DE PLAQUETTES
  申请人：VASOPHARM BIOTECH GMBH

  公开号：WO2005111041A1

  公开（公告）日：2005-11-24

  The invention relates to compounds containing a N-heteroaryl moiety, which is linked via oxygen, sulfur or nitrogen, or via a methylene bridge and oxygen, sul­fur or nitrogen to a fused ring moiety, in particular to the 1,2,3-triazolo[4,5­d]pyrimidine-7-yl radical. The invention also relates to a process for the prepara­tion of said compounds and the use thereof in drugs for the treatment of NAD(P)H oxidases-related diseases and disorders and inhibition of platelet activation.

  本发明涉及一种含有N-杂芳基基团的化合物，该基团通过氧、硫或氮或通过亚甲基桥和氧、硫或氮连接到融合环基团上，特别是1,2,3-三唑并[4,5-d]嘧啶-7-基自由基。本发明还涉及制备该化合物的方法以及在治疗NAD（P）H氧化酶相关疾病和障碍以及抑制血小板活化的药物中使用该化合物的用途。
• Triazoloquinoline derivatives
  申请人：MAY & BAKER LIMITED

  公开号：EP0174833A2

  公开（公告）日：1986-03-19

  Triazoloquinoline derivatives of the general formula: wherein R' represents a 1,2,4-triazolo[4,3-a]quinoline group which is unsubstituted or substituted by one or more substituents R4 [which may be the same or different and each represents a halogen atom or an amino, carboxy, cyano, nitro, hydroxy, formyl, trifluoromethyl, aryl, aryloxy, arylthio, benzyloxycarbonylamino, sulphamoyl, tetrazol-5-yl, carbamoyl, thiocarbamoyl, arylcarbamoyl or aroyl group, or a straight- or branched-chain alkyl group containing froml to 6 carbon atoms, or a straight- or branched-chain alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylamino, alkylsulphamoyl or arylalkyl group containing from 1 to 6 carbon atoms in the alkyl moiety, a straight- or branched-chain alkanoyl, alkoxycarbonyl, alkoxycarbonylamino, alkylcarbamoyl or alkanoylamino group containing from 2 to 6 carbon atoms, an N-benzyloxycarbonyl-N-alkylamino group wherein the alkylamino moiety is straight- or branched-chain and contains from 1 to 6 carbon atoms, or a dialkylsulphamoyl, dialkylamino or dialkylcarbamoyl group wherein the alkyl moieties may be straight or branched and may each contain from 1 to 6 carbon atoms and may be linked together to form a ring], R7 and R3 may be the same or different and each represents a cyano group, a straight- or branched-chain alkoxycarbonyl group containing from 2 to 6 carbon atoms. or a phenylsulphonyl group which may be unsubstituted or substituted by one or more substituents R4 (as hereinbefore defined), aryl groups and moieties and aroyl groups within the definition of R4 optionally bearing one or more substituents, and n represents 1 or 2 or, when an aryl group or moiety or an aroyl group represented by R4 carries one or more substituents - NHCH=CR2R3 (wherein R2 and R3 are as hereinbefore defined), n represents 0, 1 or 2, and salts thereof, possess useful pharmacological properties.

  通式的三唑并喹啉衍生物： 其中 R'代表未被取代或被一个或多个取代基 R4 取代的 1,2,4-三唑并[4,3-a]喹啉基团[这些取代基可以相同或不同，且各自代表卤素原子或氨基、羧基、氰基、硝基、羟基、甲酰基、三氟甲基、芳基、芳氧基、芳硫基、苄氧羰基氨基、磺酰胺基、四唑-5-基、氨基甲酰基、硫代氨基甲酰基、芳基氨基甲酰基或芳基基团]，或直链基团、四唑-5-基、氨基甲酰基、硫代氨基甲酰基、芳基氨基甲酰基或芳基，或含有 1 至 6 个碳原子的直链或支链烷基，或在烷基中含有 1 至 6 个碳原子的直链或支链烷氧基、烷硫基、烷基亚磺酰基、烷基磺酰基、烷基氨基、烷基磺酰基或芳基烷基、直链或支链烷酰基、烷氧羰基、烷氧羰基氨基、烷基氨基甲酰基或含有 2 至 6 个碳原子的烷酰氨基、N-苄氧羰基-N-烷基氨基（其中烷基氨基分子为直链或支链且含有 1 至 6 个碳原子）或二烷基磺酰基、二烷基氨基或二烷基氨基甲酰基，其中的烷基可以是直链或支链，每个可含有 1 至 6 个碳原子，并可连接在一起形成一个环]，R7 和 R3 可以相同或不同，每个代表一个氰基、一个含有 2 至 6 个碳原子的直链或支链烷氧基羰基。或苯基磺酰基，该基可以未被取代或被一个或多个取代基 R4（如前所述）取代，R4 定义范围内的芳基和分子以及芳烷基可选择带有一个或多个取代基，且 n 代表 1 或 2 或、当 R4 所代表的芳基或分子或芳基带有一个或多个取代基-NHCH=CR2R3（其中 R2 和 R3 如前定义）时，n 代表 0、1 或 2 及其盐类具有有用的药理特性。
• ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP0985674A1

  公开（公告）日：2000-03-15

  An alkali metal- or alkali earth metal-containing organic compound (i) is reacted with a leaving group- and silicon- or germanium-containing compound (ii) in the presence of a nitrogen-containing aromatic heterocyclic compound. By such a method, it is possible to produce a silicon- or germanium-containing organic compound, for example, a cyclopentadienyl compound cross-linked by a silicon atom or a germanium atom, typically a cyclopentadienyl compound which is substituted with a substituted or unsubstituted silyl or germyl group, for a short time with a high yield.

  含碱金属或碱土金属的有机化合物(i)在含氮芳香杂环化合物存在下与离去基团和含硅或锗的化合物(ii)反应。通过这种方法，可以在短时间内以高产率生产出含硅或锗的有机化合物，例如，由硅原子或锗原子交联的环戊二烯基化合物，通常是由取代或未取代的硅基或锗基取代的环戊二烯基化合物。

表征谱图