383-70-0

• 常用中文名：L-三氟乙酰甘氨酸
• 常用英文名：TFA-Gly-OH
• CAS号：383-70-0
• 分子式：C₄H₄F₃NO₃
• 分子量：171.075
• 相关类别： 生物化工 氨基酸及其衍生物 甘氨酸类衍生物
• 发布时间：2018-04-22 08:00:00
• 更新时间：2024-01-02 23:11:25
• TFA-Gly-OH是甘氨酸(HY-Y0966)衍生物[1]。

名称

• 中文名: L-三氟乙酰甘氨酸
• 英文名: N-(Trifluoroacetyl)Glycine
• 中文别名: N-(三氟乙酰基)甘氨酸
• 英文别名: N-Trifluoroacetylglycine; TFA-Gly-OH; Glycine, N-(2,2,2-trifluoroacetyl)-; N-(Trifluoroacetyl)glycine; 2-(2,2,2-Trifluoroacetamido)acetic acid

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 291.6±40.0 °C at 760 mmHg
• 分子式: C₄H₄F₃NO₃
• 分子量: 171.075
• 闪点: 130.2±27.3 °C
• 精确质量: 171.014328
• PSA: 66.40000
• LogP: 0.42
• 外观性状: 白色固体
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.387
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.3

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积:66.4

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:176

  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

生物活性

• 描述: TFA-Gly-OH是甘氨酸(HY-Y0966)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: N-(Trifluoroacetyl)glycine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:N-(Trifluoroacetyl)glycine CAS number:383-70-0 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, refrigerated. 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:C4H4F3NO3 Molecular weight:171.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. 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

• 海关编码: 2924199090

合成路线

431-47-0 56-40-6 ~94% 383-70-0

文献：Russian Journal of General Chemistry, , vol. 64, # 5.2 p. 791 - 792 Zhurnal Obshchei Khimii, , vol. 64, # 5 p. 878

56-40-6 407-25-0 ~95% 383-70-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1355 - 1362

56-40-6 ~% 383-70-0

文献：US6191150 B1, ; US 6191150 B1

848860-95-7 56-40-6 ~71% 383-70-0

文献：Synlett, , # 2 art. no. S09004ST, p. 255 - 258

383-63-1 56-40-6 ~54% 383-70-0

文献：European Journal of Organic Chemistry, , # 29 p. 5774 - 5788,15 European Journal of Organic Chemistry, , # 29 p. 5774 - 5788

383-64-2 56-40-6 ~% 383-70-0

文献：Journal of the American Chemical Society, , vol. 77, p. 2779,2782

500-73-2 56-40-6 ~% 383-70-0

文献：Chemische Berichte, , vol. 92, p. 2095,2098

354-32-5 56-40-6 ~% 383-70-0

文献：Journal of Pharmaceutical Sciences, , vol. 68, # 4 p. 496 - 499

上下游产品

上游产品  8
431-47-0 56-40-6 407-25-0 848860-95-7
383-63-1 383-64-2 500-73-2 354-32-5
下游产品  1
3397-30-6

海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%