105601-04-5

• 常用中文名：3-[1-(二甲基氨基)乙基]苯酚
• 常用英文名：3-[1-(Dimethylamino)ethyl]phenol
• CAS号：105601-04-5
• 分子式：C₁₀H₁₅NO
• 分子量：165.232
• 相关类别： 化学试剂 有机试剂 酚类
• 发布时间：2018-12-07 07:31:15
• 更新时间：2024-01-10 11:21:27
• 【用途一】
  卡巴拉汀中间体

名称

• 中文名: 3-[1-(二甲氨基)乙基]苯酚
• 英文名: 3-[1-(Dimethylamino)ethyl]phenol
• 中文别名: 3-[1-(二甲基氨基)乙基]苯酚
• 英文别名: MFCD06656490; Phenol, 3-[(1S)-1-(dimethylamino)ethyl]-; Phenol, 3-[(1R)-1-(dimethylamino)ethyl]-; 3-[(1R)-1-(Dimethylamino)ethyl]benzolol; 3-[(1S)-1-(Dimethylamino)ethyl]phenol; 3-[1-(dimethylamino)ethyl]phenol; 3-[(1R)-1-(Dimethylamino)ethyl]phenol; QR CY1&N1&1 &&S Form

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 241.3±15.0 °C at 760 mmHg
• 熔点: 87-89°C
• 分子式: C₁₀H₁₅NO
• 分子量: 165.232
• 闪点: 97.2±19.0 °C
• 精确质量: 165.115356
• PSA: 23.47000
• LogP: 1.59
• 外观性状: 淡棕色固体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.539
• 储存条件: -20?C Freezer
• 水溶解性: 可溶于：甲醇

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 3-[1-(Dimethylamino)ethyl]phenol Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H301:Toxic if swallowed H318:Causes serious eye damage H412:Harmful to aquatic life with long lasting effects P273:Avoid release to the environment P280:Wear protective gloves/protective clothing/eye protection/face protection P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:3-[1-(Dimethylamino)ethyl]phenol CAS number:105601-04-5 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C10H15NO Molecular weight:165.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information UN Number:UN2811 Class: 6.1 Packing group: III Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (3-[1-(Dimethylamino)ethyl]phenol) Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): T
• 风险声明 (欧洲): 25-41
• 安全声明 (欧洲): 26-39-45

合成路线

129052-92-2 ~60% 105601-04-5

文献：WO2003/101917 A2, ; Page 11 ;

50-00-0 63720-38-7 ~83% 105601-04-5

文献：WO2008/20452 A1, ; Page/Page column 7 ;

50-00-0 923035-06-7 ~85% 105601-04-5

文献：WO2008/20452 A1, ; Page/Page column 7-9 ;

923035-06-7 ~85% 105601-04-5

文献：US2008/45743 A1, ; Page/Page column 5 ;

5441-61-2 ~% 105601-04-5

文献：EP1942100 A1, ; Page/Page column 11 ;

58114-05-9 ~% 105601-04-5

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 17 p. 3834 - 3837

89691-63-4 ~% 105601-04-5

文献：Journal of the Chemical Society, , p. 613

591-31-1 ~% 105601-04-5

文献：Journal of the Chemical Society, , p. 613

上下游产品

上游产品  6
50-00-0 63720-38-7 923035-06-7 5441-61-2
58114-05-9 591-31-1
下游产品  3
105601-20-5 851086-95-8 139306-10-8