122321-04-4

• 常用中文名：2-(N-甲基-2-吡啶氨基)乙醇
• 常用英文名：2-[Methyl(2-pyridinyl)amino]ethanol
• CAS号：122321-04-4
• 分子式：C₈H₁₂N₂O
• 分子量：152.194
• 发布时间：2018-12-29 21:07:14
• 更新时间：2024-01-03 11:11:15
• 【用途一】
  用作药物罗格列酮中间体

名称

• 中文名: 2-[N-甲基-N-(2-吡啶基)氨基]乙醇
• 英文名: 2-N-Methyl-2-pyridylaminoethanol
• 中文别名: N-甲基-2-(哌啶-4-基氧)氨基乙醇; 2-(N-甲基-2-吡啶氨基)乙醇; N-甲基-N-(2-吡啶基)氨基乙醇
• 英文别名: 2-[(N-methyl-N-2-pyridinyl) amino]ethanol; 2-[methyl(pyridin-2-yl)amino]ethanol; 2-[(N-methyl-N-2-pyridinyl) amino]ethanol (for Rosiglitazone); 2-[N-(2-Hydroxyethyl)-N-methylamino]pyridine; intermediate of Rsiglitazone; IFLAB-BB F2108-0001; Ethanol, 2-(methyl-2-pyridinylamino)-; 2-(Methyl-2-pyridylamino)ethanol; N-Methyl-N-(2-pyridyl)ethanolamine; 2-(Methyl(pyridin-2-yl)amino)ethanol; 2-[Methyl(2-pyridinyl)amino]ethanol; MFCD02667633; 2-(N-Methyl-2-pyridylaMino)ethanol

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 281.2±20.0 °C at 760 mmHg
• 分子式: C₈H₁₂N₂O
• 分子量: 152.194
• 闪点: 123.9±21.8 °C
• 精确质量: 152.094955
• PSA: 36.36000
• LogP: 0.65
• 外观性状: 透明淡黄色至淡棕色粘性液体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.580
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物
• 分子结构:

  1、摩尔折射率：44.82

  2、摩尔体积（cm³/mol）：134.6

  3、等张比容（90.2K）：359.9

  4、表面张力（dyne/cm）：51

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：17.77

  7、单一同位素质量：152.094963 Da

  8、标称质量：152 Da

  9、平均质量：152.1937 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积36.4

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:108

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：棕色粘性液体

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,0.01KPa）：98-100

  7. 折射率：n20/D 1.5705-1.5735

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 2-N-methyl-2-pyridylaminoethanol Material Safety Data Sheet Synonym: CAS: 122321-04-4 Section 1 - Chemical Product MSDS Name:2-N-methyl-2-pyridylaminoethanol Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 122321-04-4 2-N-Methyl-2-pyridylaminoethanol unlisted Hazard Symbols: XN Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. 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: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: 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. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. 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. 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# 122321-04-4: 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: faint yellow - light yellow to light brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C8H12N2O Molecular Weight: 152.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 122321-04-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-N-Methyl-2-pyridylaminoethanol - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. 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. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. 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# 122321-04-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 122321-04-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 122321-04-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22;R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2933399090

合成路线

109-09-1 109-83-1 ~90% 122321-04-4

文献：Gaonkar, Santosh L.; Shimizu, Hiroki Tetrahedron, 2010 , vol. 66, # 18 p. 3314 - 3317

109-04-6 109-83-1 ~81% 122321-04-4

文献：Yang, De-Hong; Yang, Ben-Yong; Chen, Zhen-Chu; Chen, Song-Ying Journal of Chemical Research, 2006 , # 9 p. 600 - 601

上下游产品

上游产品  3
109-09-1 109-83-1 109-04-6
下游产品  3
160596-25-8 122320-73-4 122321-03-3

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%