117833-18-8

• 常用中文名：(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoicacid
• 常用英文名：Ac-Asp(OtBu)-OH
• CAS号：117833-18-8
• 分子式：C₁₀H₁₇NO₅
• 分子量：231.246
• 相关类别： 生物化工 氨基酸及其衍生物 天然氨基酸及其衍生物
• 发布时间：2019-01-01 11:01:37
• 更新时间：2024-01-03 15:48:08
• AC Asp(OtBU)-OH是天冬氨酸衍生物[1]。

名称

• 中文名: N-乙酰基-L-天冬氨酸 4-叔丁酯
• 英文名: ac-asp(otbu)-oh
• 英文别名: (2S)-2-Acetamido-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid; N-Acetyl-L-aspartic acid 4-tert-butyl ester; L-Aspartic acid, N-acetyl-, 4-(1,1-dimethylethyl) ester; AC-ASPARTIC ACID(OTBU)-OH; Ac-Asp(O-t-Bu)-OH

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 449.6±40.0 °C at 760 mmHg
• 分子式: C₁₀H₁₇NO₅
• 分子量: 231.246
• 闪点: 225.7±27.3 °C
• 精确质量: 231.110672
• PSA: 92.70000
• LogP: 0.56
• 外观性状: Solid
• 蒸汽压: 0.0±2.3 mmHg at 25°C
• 折射率: 1.470
• 储存条件:

  密封、在2 ºC -8 ºC下保存

• 分子结构:

  1、摩尔折射率：55.26

  2、摩尔体积（cm³/mol）：198

  3、等张比容（90.2K）：502

  4、表面张力（dyne/cm）：41.2

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：21.9

  7、单一同位素质量：231.110673 Da

  8、标称质量：231 Da

  9、平均质量：231.2457 Da

• 更多:

  1. 性状：未确定

  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,KPa）：未确定

  7. 折射率：未确定

  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

生物活性

• 描述: AC Asp(OtBU)-OH是天冬氨酸衍生物[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: 氨基酸和氨基酸衍生物已被商业化用作能量补充剂。它们影响合成代谢激素的分泌、运动期间的燃料供应、压力相关任务期间的精神表现,并防止运动引起的肌肉损伤。它们被认为是有益的能生膳食物质[1]。
• 参考文献:

  [1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Ac-asp(otbu)-oh Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Ac-asp(otbu)-oh CAS number:117833-18-8 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:C10H17NO5 Molecular weight:231.2 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 Non-harzardous for air and ground transportation. 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): Xi

合成路线

108-24-7 3057-74-7 ~94% 117833-18-8

文献：Goode, David R.; Sharma, Anil K.; Hergenrother, Paul J. Organic Letters, 2005 , vol. 7, # 16 p. 3529 - 3532

71989-14-5 108-24-7 ~% 117833-18-8

文献：WO2014/56923 A1, ; Page/Page column 146; 147 ;

3057-74-7 830-03-5 ~53% 117833-18-8

文献：Piotrovskii, L. B.; Dumpis, M. A.; Poznyakova, L. N.; Aleksandrova, L. N.; Sepetov, N. F. Journal of Organic Chemistry USSR (English Translation), 1988 , vol. 24, p. 96 - 100 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 1 p. 111 - 116

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