1-氮杂呫吨酮 | 6537-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 1-氮杂呫吨酮
• 中文别名: 1-氮杂吨酮；5H-色烯并[2,3-b]吡啶-5-酮
• 英文名称: 5H-benzopyrano[2,3-b]pyridin-5-one
• 英文别名: 1-azaxanthone；5H-chromeno[2,3-b]pyridin-5-one；chromeno[2,3-b]pyridin-5-one
• CAS: 6537-46-8
• 化学式: C₁₂H₇NO₂
• mdl: MFCD00052253
• 分子量: 197.193
• InChiKey: KWFWIGXYOMVRSA-UHFFFAOYSA-N

物化性质

• 熔点：
  180-182°C
• 沸点：
  380.6±11.0 °C(Predicted)
• 密度：
  1.342±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  稳定，具有可燃性，与强氧化剂不相容。

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 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：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 安全说明：
  S22,S24/25
• 储存条件：
  室温

SDS

Name:	5H-chromeno[2 3-b]pyridin-5-one 97% Material Safety Data Sheet
Synonym:	1-Azaxanthon
CAS:	6537-46-8

Section 1 - Chemical Product MSDS Name:5H-chromeno[2 3-b]pyridin-5-one 97% Material Safety Data Sheet
Synonym:1-Azaxanthon

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6537-46-8	5H-Chromeno[2,3-b]pyridin-5-one	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# 6537-46-8: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 180 - 182 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: C12H7NO2
Molecular Weight: 197

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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.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6537-46-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5H-Chromeno[2,3-b]pyridin-5-one - 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# 6537-46-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6537-46-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6537-46-8 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-氮杂呫吨酮 在 PPA 作用下， 生成 阿扎那托
  参考文献：
  名称：

  Benzopyranopyridine derivatives. 1. Aminoalkyl derivatives of the azaxanthenes as bronchodilating agents

  摘要：

  The preparation of the four isomeric azaxanthones 3 and a number of their aromatic ring substituted derivatives is described. These ketones were converted into the title compounds which were examined for their biological properties. The most interesting compound in this series, the 1-methyl-4-piperidylidene derivative of 1-azaxanthene, shows the profile of an orally effective potent bronchodilating agent as well as a moderate antihistamine. Biological properties of this compound were compared to a number of antihistamines as well as known bronchodilating agents. Structure-activity relationships are also discussed.

  DOI：

  10.1021/jm00235a001
• 作为产物：
  描述：

  2-羟基烟酸 在 五氯化磷 、 sodium methylate 、 三氯氧磷 作用下， 生成 1-氮杂呫吨酮
  参考文献：
  名称：

  163.氧杂蒽酮和噻吨酮。第二部分 噻吨氧基，9-蒽胺和9-噻吨胺的衍生物

  摘要：

  DOI：

  10.1039/jr9510000757

文献信息

• [EN] NEW IMAGING AGENTS AND METHODS OF IDENTIFYING SAME<br/>[FR] NOUVEAUX AGENTS D'IMAGERIE ET PROCÉDÉS DE LEUR IDENTIFICATION
  申请人：UNIV PENNSYLVANIA

  公开号：WO2015143349A1

  公开（公告）日：2015-09-24

  The present invention includes a novel method capable of identifying a compound as an imaging agent using a DAZAX-based scaffold or derivative thereof. The present invention further includes novel imaging agents. The present invention further includes a method of modifying a DAZAX-based scaffold or derivative thereof. The present invention further includes a method for imaging a sample.

  本发明涵盖了一种新颖的方法，能够利用基于DAZAX的支架或其衍生物将化合物识别为成像剂。本发明还涵盖了新颖的成像剂。本发明还涵盖了修改基于DAZAX的支架或其衍生物的方法。本发明还涵盖了成像样本的方法。
• [EN] PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS.<br/>[FR] SENSIBILISATEUR PYRIDYL-AZA(THIO)XANTHONE COMPRENANT DES COMPOSÉS COMPLEXANT LES IONS LANTHANIDE(III), LEURS COMPLEXES DES IONS LANTHANIDE(III) LUMINESCENTS ET LEUR UTILISATION COMME MARQUEURS FLUORESCENTS
  申请人：CIS BIO INT

  公开号：WO2010084090A1

  公开（公告）日：2010-07-29

  Lanthanide (III) Ion completing compound comprising: (1) a sensitizer moiety of Formula (I) in which: a is an integer from 1 to 4; b is an integer equal to 1 or 2; c is an integer equal to 1 or 2; (R1)a, (R2)b, (R3)C are the same or different and are chosen from the group consisting of H; alkyl; -COOR4 where R4 is H or an alkyl; aryl; heteroaryl; saturated or unsaturated cyclic hydrocarbon; CF3; CN; a halogen atom; L-Rg; L-Sc; or two consecutive R3, two consecutive R2 or two consecutive R1 groups together form an aryl or a heteroaryl group or a saturated or unsaturated cyclic hydrocarbon group; where L is a linker, Rg is a reactive group and Sc is a conjugated substance; X1 and X2 are the same or different and are O or S; A is either a direct bond or a divalent group chosen from -CH2- or -(CH2)2-, said moiety being covalentiy attached to (2) a lanthanide (in) ion chelating moiety through A. The above compounds are used in the preparation of luminescent lanthanide (III) ion complexes which are used as fluorescent labels.

  镧系（III）离子配合物包括：（1）式（I）中的感光团，其中：a是1到4之间的整数；b是等于1或2的整数；c是等于1或2的整数；（R1）^a，（R2）^b，（R3）^c相同或不同，并选自H；烷基；-COOR4，其中R4为H或烷基；芳基；杂芳基；饱和或不饱和环烃；CF3；CN；卤原子；L-Rg；L-Sc；或两个连续的R3，两个连续的R2或两个连续的R1组成芳基或杂芳基或饱和或不饱和环烃基；其中L是连接物，Rg是反应性基团，Sc是共轭物质；X1和X2相同或不同，为O或S；A是直接键或从-CH2-或-(CH2)2-中选择的二价基团，所述团通过A与（2）中的镧系（III）离子螯合团结合。上述化合物用于制备发光的镧系（III）离子配合物，用作荧光标记剂。
• Stepwise benzylic oxygenation <i>via</i> uranyl-photocatalysis
  作者：Deqing Hu、Xuefeng Jiang

  DOI：10.1039/d1gc04042a

  日期：——

  Stepwise oxygenation of benzylic molecules with uranyl photocatalysis was realized under ambient conditions. The accuracy of the stepwise oxygenation was ensured by the tunability of redox potential in uranyl photocatalysis through solvents and additives.

  使用铀酰光催化剂，在常温下实现对苄基分子的逐步氧化。通过溶剂和添加剂调节铀酰光催化剂的氧化还原电位，确保了逐步氧化的准确性。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Functionalization of pyridyl ketones using deprotolithiation-in situ zincation
  作者：Madani Hedidi、William Erb、Frédéric Lassagne、Yury S. Halauko、Oleg A. Ivashkevich、Vadim E. Matulis、Thierry Roisnel、Ghenia Bentabed-Ababsa、Florence Mongin

  DOI：10.1039/c6ra11370b

  日期：——

  The metallation of aryl ketones was achieved by using LiTMP in the presence of ZnCl2·TMEDA, as evidenced by subsequent interception with iodine or by a palladium-catalysed cross-coupling reaction. One of the synthesized iodo ketones has been further elaborated to reach derivatives of biological interest.

  芳基酮的金属化是通过在ZnCl 2 ·TMEDA存在下使用LiTMP来实现的，随后通过碘的拦截或钯催化的交叉偶联反应证明了这一点。合成的碘代酮之一已被进一步精加工以达到具有生物学意义的衍生物。