2,3- 二甲基-喹喔啉-6-羧酸 | 17635-26-6

• 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: 2,3- 二甲基-喹喔啉-6-羧酸
• 中文别名: 2,3-二甲基-6-喹喔啉羧酸；2,3-二甲基-喹喔啉-6-羧酸
• 英文名称: 2,3-dimethylquinoxaline-6-carboxylic acid
• 英文别名: 2,3-Dimethyl-chinoxalin-6-carbonsaeure
• CAS: 17635-26-6
• 化学式: C₁₁H₁₀N₂O₂
• mdl: MFCD02575516
• 分子量: 202.213
• InChiKey: RCACNAWRFYUKLC-UHFFFAOYSA-N

物化性质

• 熔点：
  230 °C
• 沸点：
  359.6±37.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090
• 危险性防范说明：
  P264,P280,P305+P351+P338,P337+P313
• 危险性描述：
  H319

SDS

Name:	2 3-Dimethyl-quinoxaline-6-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	17635-26-6

Section 1 - Chemical Product MSDS Name:2 3-Dimethyl-quinoxaline-6-carboxylic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17635-26-6	2,3-Dimethyl-quinoxaline-6-carboxylic	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. Immediately 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
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# 17635-26-6: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 257 - 260 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: C11H10N2O2
Molecular Weight: 202.21

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17635-26-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dimethyl-quinoxaline-6-carboxylic acid - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17635-26-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17635-26-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17635-26-6 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：

  2,3- 二甲基-喹喔啉-6-羧酸 在 lithium aluminium tetrahydride 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2,3-dimethylquinoxaline-6-carbaldehyde
  参考文献：
  名称：

  A new family of quinoline and quinoxaline analogues of combretastatins

  摘要：

  The 3-hydroxy-4-methoxyphenyl ring of combretastatin A-4 can be replaced by a 2-naphthyl moiety without significant loss of cytotoxicity and inhibition of tubulin polymerization potency. In this paper we show that the 6- or 7-quinolyl systems can in turn replace both cyclic moieties, keeping in the first case most of the potency as cytotoxic agent and in the second case as inhibitor of tubulin polymerization, related to the activities displayed by model compounds. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.098
• 作为产物：
  描述：

  2,3-丁二酮 、 4-氨基-3-硝基苯甲酸 在 tin(II) chloride dihdyrate 作用下， 以 乙醇 、 乙醇-D1 为溶剂， 反应 6.0h， 以92%的产率得到2,3- 二甲基-喹喔啉-6-羧酸
  参考文献：
  名称：

  染料敏化太阳能电池用新型喹喔啉类染料的合成与性能

  摘要：

  合成了新的基于喹喔啉的染料，并将其用作染料敏化太阳能电池的敏化剂。喹喔啉部分用作吸电子基团，而三苯胺和吩噻嗪衍生物用作供电子基团。与吩噻嗪部分合成的染料比具有三苯胺部分的染料显示出更高的转化效率，从而导致了4.36％的最佳总功率转化效率。

  DOI：

  10.1016/j.dyepig.2015.05.019

文献信息

• Monoacylglycerol Lipase Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20200102303A1

  公开（公告）日：2020-04-02

  Fused compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. Wherein R 1 , R 2 , R 2a , R 3 , R 3a , R 4 , and R 4a are defined herein.

  化合物的结构式（I）和结构式（II），含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、紊乱和病况的方法，例如与疼痛、精神障碍、神经障碍（包括但不限于重性抑郁障碍、治疗抵抗性抑郁症、焦虑性抑郁症、躁郁症）、癌症和眼部疾病相关的方法。 其中R1、R2、R2a、R3、R3a、R4和R4a在此处定义。
• Synthesis and antiprotozoal activity of some new synthetic substituted quinoxalines
  作者：Xu Hui、Julie Desrivot、Christian Bories、Philippe M. Loiseau、Xavier Franck、Reynald Hocquemiller、Bruno Figadère

  DOI：10.1016/j.bmcl.2005.11.025

  日期：2006.2

  A series of 29 new quinoxalines was synthesized and evaluated in vitro against several parasites (Leishmania donovani, Trypanosoma brucei brucei, and Trichomonas vaginalis). Several of them displayed interesting activities, and particularly four quinoxaline amides showed in vitro antileishmanial properties (IC50 less than 20 microM).

  合成了29种新的喹喔啉系列，并在体外针对几种寄生虫（利什曼原虫，布鲁氏锥虫和布鲁氏毛滴虫）进行了评估。它们中的几个表现出有趣的活性，特别是四种喹喔啉酰胺具有体外抗菌性能（IC50小于20 microM）。
• [EN] QUINOXALINES AS B RAF INHIBITORS<br/>[FR] QUINOXALINES EN TANT QU'INHIBITEURS B-RAF
  申请人：ASTRAZENECA AB

  公开号：WO2006040568A1

  公开（公告）日：2006-04-20

  The invention relates to chemical compounds of the formula (I) or pharmaceutically acceptable salts thereof, which possess B Raf inhibitory activity and are accordingly useful for their anti cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm blooded animal such as man.

  该发明涉及化学式(I)的化合物或其药学上可接受的盐，具有B Raf抑制活性，因此对其抗癌活性有用，从而在治疗人体或动物体的方法中使用。该发明还涉及制备所述化学化合物的方法，含有它们的药物组合物以及它们在制造用于在温血动物（如人类）中产生抗癌效果的药物的生产中的使用。
• 一种含有喹喔啉结构的三酮类化合物、制备方 法及其应用
  申请人：东北农业大学

  公开号：CN110835321B

  公开（公告）日：2020-11-24

  本发明属于属于药物合成技术领域，尤其涉及一种含有喹喔啉结构的三酮类化合物、制备方法及其应用。本发明提供的含有喹喔啉三酮类化合物为下述通式(Ⅰ)所示结构，式(Ⅰ)中，制备方法主要包括将式(Ⅱ)所示的结构的化合物在碱和溶剂存在的条件下进行接触，R1，R2，R3，R4各自如说明书中所述定义。本发明的含有喹喔啉三酮类化合物具有高除草活性，特别是对防治阔叶杂草和/或禾本科杂草具有优良的效果，防治效果甚至优于一些市售的商业除草剂。
• Substituted 5- and 6-quinoxalinecarboxylic acids and their tuberculostatic activity
  作者：František Roubínek、Viktor Bydžovský、Zdeněk Buděšínský

  DOI：10.1135/cccc19840285

  日期：——

  Condensation of aliphatic and aliphatic-aromatic α-diketones, and of substituted benzils with 2,3- and 3,4-diaminobenzoic acids and with 4,5-diamino-2-hydroxybenzoic acid gave 74 5- and 6-quinoxalinecarboxylic acids, with the same or different alkyls and aryls as substituents at position 2 and 3. The compounds with different substituents at positions 2 and 3 were resolved into positional isomers. Their structures were determined by means of the dipole moments. The compounds were tested for tuberculostatic activity. Some exhibited it in vitro (LI, LVII), but failed in vivo.

  脂肪族和脂肪族-芳香族α-二酮与2,3-和3,4-二氨基苯甲酸以及4,5-二氨基-2-羟基苯甲酸的缩合反应产生了74种5-和6-喹啉羧酸，位置2和3上的取代基可以是相同的或不同的烷基和芳基。在位置2和3有不同取代基的化合物被分解成位置异构体。它们的结构是通过偶极矩确定的。这些化合物被检测其抗结核活性。一些化合物在体外（LI，LVII）表现出该活性，但在体内失败。