3-pyridylphenolate sodium salt | 52536-09-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-pyridylphenolate sodium salt
• 英文别名: 3-hydroxypyridine sodium salt；sodium pyridin-3-olate；sodium salt of 3-hydroxypyridine；sodium salt of 3-pyridinol；sodium;pyridin-3-olate
• CAS: 52536-09-1
• 化学式: C₅H₄NO*Na
• 分子量: 117.083
• InChiKey: WHYQZPOBOBSAIS-UHFFFAOYSA-M

物化性质

• 熔点：
  300 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.84
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  29333999

SDS

Name:	3-Hydroxypyridine Sodium Salt 98% Material Safety Data Sheet
Synonym:	Sodium pyridin-3-olat
CAS:	52536-09-1

Section 1 - Chemical Product MSDS Name:3-Hydroxypyridine Sodium Salt 98% Material Safety Data Sheet
Synonym:Sodium pyridin-3-olat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
52536-09-1	3-Hydroxypyridine Sodium Salt	98	257-995-1

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.Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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.
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. Do NOT use mouth-to-mouth resuscitation.
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:
Do NOT get water inside containers. In case of fire, use carbon dioxide, dry chemical powder 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:
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. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 52536-09-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C5H4NONa
Molecular Weight: 117.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable. However, may decompose if exposed to moist air or water.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 52536-09-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydroxypyridine Sodium Salt - 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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 52536-09-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52536-09-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52536-09-1 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-氟苯腈 、 3-pyridylphenolate sodium salt 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-(Pyridin-3-yloxy)-benzonitrile
  参考文献：
  名称：

  P2X7 receptor antagonists and methods of use

  摘要：

  这项发明涉及具有化学式(I)或(II)的P2X7拮抗剂化合物，或其药学上可接受的盐、前药、前药的盐或二者的组合，其中R1、R2和R3在规范中有定义。该发明还涉及一种选择性抑制P2X7活性的方法，包括向需要此类治疗的患者施用化合物的治疗有效量，其化学式为(III)、(IV)或(V)，其中R6、R7、R8、R9、R10和R11在规范中有定义。

  公开号：

  US20070105842A1
• 作为产物：
  描述：

  3-羟基吡啶 在 sodium hydride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 0.33h， 生成 3-pyridylphenolate sodium salt
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：

文献信息

• Methods and compounds for inhibiting mrp1
  申请人：——

  公开号：US20030100576A1

  公开（公告）日：2003-05-29

  The present invention further relates to a method of inhibiting MRP1 in a mammal which comprises administering to a mammal in need thereof an effective amount of a compound of formula (I).

  本发明还涉及一种抑制哺乳动物中MRP1的方法，包括向需要的哺乳动物施用化合物(I)的有效量。
• Amino containing pyridyloxy propanols
  申请人：Aktieselskabet Grindstedvaerket

  公开号：US04065461A1

  公开（公告）日：1977-12-27

  As new compounds having .beta.-receptor blocking activity, isopropylamino-(pyridyloxy)-propanols with the general formula ##STR1## wherein R denotes hydrogen or amino. The compounds are prepared by reacting a corresponding 3-pyridinol with epichlorohydrin and the resulting product with isopropylamine.

  作为具有β受体阻断活性的新化合物，异丙基氨基（吡啶氧基）丙醇的一般式为##STR1##其中R表示氢或氨基。该化合物是通过将相应的3-吡啶醇与环氧氯丙烷反应，然后将得到的产物与异丙胺反应制备而成的。
• Chemistry of the phenoxathiins and isosterically related heterocycles. XII. Synthesis of diazaphenoxathiin analogs: 1,9-Diazaphenoxathiin and 1,7-diazaphenoxathiin
  作者：Steven R. Caldwell、James C. Turley、Gary E. Martin

  DOI：10.1002/jhet.5570170601

  日期：1980.9

  The synthesis of the first diazaphenoxathiins, 1,9-diazaphenoxathiin and 1,7-diazaphenoxathiin, are described. Complete assignments are made for the 13C-nmr spectra of these compounds based on additivity correlation and 1H-13C spin-coupling constants. The isolation and confirmation of the structure of 2-[2′(-3′-nitropyridylthio)]-3-[2″-(3″-nitropyridyloxy)] pyridine using 13C-nmr and appropriate model

  描述了第一种重氮苯氧杂菊酯，1,9-重氮苯氧杂苷和1,7-重氮苯氧杂苷的合成。基于加性相关性和1 H - 13 C自旋耦合常数，对这些化合物的13 C-nmr光谱进行了完全分配。还讨论了使用13 C-nmr和合适的模型化合物分离和确认2- [2'（-3'-硝基吡啶硫基）]-3- [2″-（3″-硝基吡啶氧基）]吡啶的结构。对小鼠自发性运动抑制的初步评估显示，观察到的报道的两种二氮杂吩噻嗪活性之间存在显着差异。讨论了观察到的差异与环状氮杂取代基的相对位置有关的可能性。
• WO2007/146066
  申请人：——

  公开号：——

  公开（公告）日：——
• Potent and Selective Non-Cysteine-Containing Inhibitors of Protein Farnesyltransferase
  作者：David J. Augeri、Stephen J. O'Connor、Dave Janowick、Bruce Szczepankiewicz、Gerry Sullivan、John Larsen、Douglas Kalvin、Jerry Cohen、Edward Devine、Haichao Zhang、Sajeev Cherian、Badr Saeed、Shi-Chung Ng、Saul Rosenberg

  DOI：10.1021/jm980298s

  日期：1998.10.1

  Potent and selective non-thiol-containing inhibitors of protein farnesyltransferase are described. FTI-276 (1) was transformed into pyridyl ether analogue 19. The potency of pyridyl ether 19 was improved by modification of the biphenyl core to that of an o-tolyl substituted biphenyl core to give 29. In addition to 0.4 nM in vitro potency, 29 displayed 350 nM potency in whole cells as the parent carboxylic acid. The o-tolyl biphenyl core dramatically and unexpectedly enhanced the potency of other compounds as exemplified by 46, 47, 48, and 49.