2,3-二氢吡啶并[2,3-d][1,3]噁唑-2-酮 | 60832-72-6

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶唑并吡啶类
• 中文名称: 2,3-二氢吡啶并[2,3-d][1,3]噁唑-2-酮
• 中文别名: 3H-恶唑并[4,5-B]吡啶-2-酮；恶唑并[4,5-B]吡啶-2(3H)-酮；噁唑并[4,5-b]吡啶-2(3H)-酮；2,3-二氢吡啶并[2,3-d][1,3]唑-2-酮；恶唑吡啶酮；2,3-二氢吡啶并[2,3-D][1,3]唑-2-酮；噁唑[4,5-b]吡啶-2(3H)-酮
• 英文名称: 2,3-dihydro[1,3]oxazolo[4,5-b]pyridin-2-one
• 英文别名: oxazolo[4,5-b]pyridin-2(3H)-one；2H,3H-[1,3]oxazolo[4,5-b]pyridin-2-one；[1,3]oxazolo[4,5-b]pyridin-2(3H)-one；2,3-dihydropyrido[2, 3-d][1,3]oxazol-2-one；3H-oxazolo[4,5-b]pyridin-2-one；3H-[1,3]oxazolo[4,5-b]pyridin-2-one
• CAS: 60832-72-6
• 化学式: C₆H₄N₂O₂
• mdl: MFCD00204215
• 分子量: 136.11
• InChiKey: OVLXOTUWFLHWQT-UHFFFAOYSA-N

物化性质

• 熔点：
  214 °C
• 沸点：
  253.8±23.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于二甲基亚砜、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2934999090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  **Refrigerator**

SDS

Name:	2 3-Dihydropyrido[2 3-d][1 3]oxazol-2-one 97% Material Safety Data Sheet
Synonym:	Oxazolo[4,5-6]pyridine-2(3H)-on
CAS:	60832-72-6

Section 1 - Chemical Product MSDS Name:2 3-Dihydropyrido[2 3-d][1 3]oxazol-2-one 97% Material Safety Data Sheet
Synonym:Oxazolo[4,5-6]pyridine-2(3H)-on

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
60832-72-6	2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-	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:
Causes eye irritation. May cause chemical conjunctivitis.
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: 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. 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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 60832-72-6: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 210 - 212 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: C6H4N2O2
Molecular Weight: 136.11

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, amines, bases.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 60832-72-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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# 60832-72-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 60832-72-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60832-72-6 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

制备方法与用途

用途：用于制备医药中间体。

反应信息

• 作为反应物：
  描述：

  2,3-二氢吡啶并[2,3-d][1,3]噁唑-2-酮 在 sodium hydroxide 、 六甲基二硅氧烷 、 溴 、 phosphorus pentoxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 6-溴-2-苯基恶唑并[4,5-B]吡啶
  参考文献：
  名称：

  Viaud, Marie-Claude; Jamoneau, Patricia; Savelon, Laurence, Heterocycles, 1995, vol. 41, # 12, p. 2799 - 2810

  摘要：

  DOI：
• 作为产物：
  描述：

  3-羟基吡啶酰胺 在 氢氧化钾 、 碘苯二乙酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以68%的产率得到2,3-二氢吡啶并[2,3-d][1,3]噁唑-2-酮
  参考文献：
  名称：

  邻氨基苯甲酰胺、水杨酰胺和一些β-取代酰胺的高价碘氧化重排：2-苯并咪唑酮、2-苯并恶唑酮和相关化合物的新型便捷合成

  摘要：

  在甲醇氢氧化钾中用碘苯二乙酸酯氧化邻氨基苯甲酰胺、水杨酰胺和一些β-取代的酰胺，分别导致2-苯并咪唑酮、2-苯并恶唑酮和相关化合物的新且方便的合成。该反应可能通过最初的霍夫曼型重排发生，然后是中间体异氰酸酯的分子内环化。

  DOI：

  10.1055/s-2001-12346

文献信息

• HETEROBICYCLIC COMPOUNDS
  申请人：Amgen Inc.

  公开号：US20130225552A1

  公开（公告）日：2013-08-29

  Heterobicyclic compounds of Formula (I): or a pharmaceutically-acceptable salt, tautomer, or stereoisomer thereof, as defined in the specification, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, Huntington's Disease, and the like.

  Formula (I)的杂环化合物： 或其药用可接受的盐、互变异构体或立体异构体，如规范中所定义，并含有它们的组合物，以及制备这种化合物的方法。本文还提供了通过抑制PDE10来治疗由此可治疗的疾病或疾病的方法，如肥胖症、非胰岛素依赖型糖尿病、精神分裂症、躁郁症、强迫症、亨廷顿病等。
• [EN] PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDINE ET DE TRIAZINE, ET LEUR UTILISATION COMME INHIBITEURS D'AXL
  申请人：PFIZER

  公开号：WO2016097918A1

  公开（公告）日：2016-06-23

  Compounds of the general formula(I): (I) processes for the preparation of these compounds, compositions containing these compounds, and the uses of these compounds.

  公式(I)的化合物： (I) 这些化合物的制备方法，包含这些化合物的组合物，以及这些化合物的用途。
• Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors
  申请人：Cui Jean Jingrong

  公开号：US20060046991A1

  公开（公告）日：2006-03-02

  Enantiomerically pure compound of formula 1 are provided, as well as methods for their synthesis and use. Preferred compounds are potent inhibitors of the c-Met protein kinase, and are useful in the treatment of abnormal cell growth disorders, such as cancers.

  提供了式1的对映纯化合物，以及它们的合成和使用方法。优选化合物是c-Met蛋白激酶的强效抑制剂，并且在治疗异常细胞生长紊乱，如癌症方面具有用处。
• COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY
  申请人：Li Hui

  公开号：US20120028923A1

  公开（公告）日：2012-02-02

  Disclosed are compounds of formula I, compositions containing them, and methods of use for the compounds and compositions in the treatment of conditions in which modulation of the JAK pathway or inhibition of JAK kinases, particularly JAK 2 and JAK3, are therapeutically useful. Also disclosed are methods of making the compounds.

  披露了公式I的化合物，含有它们的组合物，以及使用这些化合物和组合物治疗调节JAK途径或抑制JAK激酶，特别是JAK2和JAK3，具有治疗用途的条件的方法。还披露了制造这些化合物的方法。
• HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FATTY ACID BIOSYSNTHESIS FOR BACTERIAL INFECTIONS
  申请人：VITAS PHARMA RESEARCH PRIVATE LIMITED

  公开号：US20140249170A1

  公开（公告）日：2014-09-04

  The present invention relates to novel heterocyclic compounds which specifically inhibit bacterial FabI and can be used for the treatment of Staphylococcal infections.

  这项发明涉及一种新型杂环化合物，可以特异性地抑制细菌FabI，并可用于治疗葡萄球菌感染。