94838-59-2

• 常用中文名：4-[2-(Boc-氨基)乙基]苯胺
• 常用英文名：4-[2-(Boc-amino)ethyl]aniline
• CAS号：94838-59-2
• 分子式：C₁₃H₂₀N₂O₂
• 分子量：236.310
• 发布时间：2018-12-24 15:36:11
• 更新时间：2024-01-10 22:02:01

名称

• 中文名: [2-(4-氨基苯基)乙基]氨基甲酸叔丁酯
• 英文名: tert-Butyl 4-aminophenethylcarbamate
• 中文别名: [2-(4-氨基苯基)乙基]丙二酸叔丁酯; 4-[2-(BOC-氨基)乙基]苯胺
• 英文别名: [2-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester; 2-Methyl-2-propanyl [2-(4-aminophenyl)ethyl]carbamate; tert-Butyl-2-(4-aminophenyl)ethylcarbamate; Carbamic acid, N-[2-(4-aminophenyl)ethyl]-, 1,1-dimethylethyl ester; tert-butyl N-[2-(4-aminophenyl)ethyl]carbamate; tert-Butyl [2-(4-aminophenyl)ethyl]carbamate; 4-(2-Aminoethyl)aniline, 4-BOC protected; 4-{2-[(tert-Butoxycarbonyl)amino]ethyl}aniline; 4-[2-(Boc-amino)ethyl]aniline

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 396.8±25.0 °C at 760 mmHg
• 分子式: C₁₃H₂₀N₂O₂
• 分子量: 236.310
• 闪点: 193.8±23.2 °C
• 精确质量: 236.152481
• PSA: 64.35000
• LogP: 2.03
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.537
• 储存条件: 2-8°C

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: [2-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:[2-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester CAS number:94838-59-2 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. Store in closed vessels. Storage: 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 Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C13H20N2O2 Molecular weight:236.3 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. ([2-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester) 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+
• 危险品运输编码: 2811.0
• 海关编码: 2924299090

合成路线

144226-16-4 ~97% 94838-59-2

文献：Piscitelli, Francesco; Ligresti, Alessia; La Regina, Giuseppe; Coluccia, Antonio; Morera, Ludovica; Allara, Marco; Novellino, Ettore; Di Marzo, Vincenzo; Silvestri, Romano Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5627 - 5631

13472-00-9 24424-99-5 ~98% 94838-59-2

文献：Hirano, Misato; Iguchi, Satoru; Nakao, Kazunari; Yamagishi, Tatsuya Patent: US2003/220372 A1, 2003 ; Location in patent: Page/Page column 37 ; US 20030220372 A1

7439-89-6 144226-16-4 ~% 94838-59-2

文献：Chen, Guoqing; Adams, Jeffrey; Bemis, Jean; Booker, Shon; Cai, Guolin; Pietro, Lucian Di; Dominguez, Celia; Elbaum, Daniel; Germain, Julie; Geuns-Meyer, Stephanie; Handley, Michael; Huang, Qi; Kim, Joseph L.; Kim, Tae-Seong; Kiselyov, Alexander; Ouyang, Xiaohu; Patel, Vinod F.; Smith, Leon M.; Stec, Markian; Tasker, Andrew; Xi, Ning; Xu, Shimin; Yuan, Chester Chenguang; Croghan, Michael Patent: US2003/125339 A1, 2003 ; Title/Abstract Full Text Show Details Amgen Inc. Patent: US6878714 B2, 2005 ; US 6878714 B2

29968-78-3 ~% 94838-59-2

文献：Stark, Peter A.; Thrall, Brian D.; Meadows, Gary G.; Abdel-Monem, Mahmoud M. Journal of Medicinal Chemistry, 1992 , vol. 35, # 23 p. 4264 - 4269

34619-03-9 ~% 94838-59-2

文献：Stark, Peter A.; Thrall, Brian D.; Meadows, Gary G.; Abdel-Monem, Mahmoud M. Journal of Medicinal Chemistry, 1992 , vol. 35, # 23 p. 4264 - 4269

24424-99-5 ~% 94838-59-2

文献：Piscitelli, Francesco; Ligresti, Alessia; La Regina, Giuseppe; Coluccia, Antonio; Morera, Ludovica; Allara, Marco; Novellino, Ettore; Di Marzo, Vincenzo; Silvestri, Romano Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5627 - 5631

3544-25-0 ~% 94838-59-2

文献：Walia, Amit; Kang, Soosung; Silverman, Richard B Journal of Organic Chemistry, 2013 , vol. 78, # 21 p. 10931 - 10937

13472-00-9 541-16-2 ~% 94838-59-2

文献：Jacobsen, John R.; Choi, Seok Ki; Combs, Jesse; Fournier, Eric J.L.; Klein, Uwe; Pfeiffer, Juergen W.; Thomas, G. Roger; Yu, Cecile; Moran, Edmund J. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 2 p. 1213 - 1218

上下游产品

上游产品  8
144226-16-4 13472-00-9 24424-99-5 7439-89-6
29968-78-3 34619-03-9 3544-25-0 541-16-2
下游产品  1
114365-12-7

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%