4,4,4,5,5,5-hexafluoro-dl-valine - Names and Identifiers
Name | 4,4,4,5,5,5-hexafluoro-dl-valine
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Synonyms | hexafluorovaline HEXAFLUORO-DL-VALINE Hexafluoro-DL-valine 4,4,4,4',4',4'-hexafluorovaline 4,4,4,4,4,4-Hexafluoro-DL-valine 4,4,4,5,5,5-hexafluoro-dl-valine 4,4,4,4',4',4'-Hexafluoro-DL-valine (±)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid 2-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid, 2-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid
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CAS | 16063-80-2
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EINECS | 240-207-5 |
InChI | InChI=1/C5H5F6NO2/c1-4(8,2(6)7)5(9,3(13)14)12(10)11/h2H,1H3,(H,13,14)/t4?,5-/m1/s1 |
4,4,4,5,5,5-hexafluoro-dl-valine - Physico-chemical Properties
Molecular Formula | C5H5F6NO2
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Molar Mass | 225.09 |
Density | 1.575±0.06 g/cm3(Predicted) |
Melting Point | 204°C (dec.) |
Boling Point | 165.9±40.0 °C(Predicted) |
Appearance | powder to crystal |
Color | White to Almost white |
BRN | 2416649 |
pKa | 1.53±0.10(Predicted) |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
Refractive Index | 1.349 |
MDL | MFCD00014349 |
4,4,4,5,5,5-hexafluoro-dl-valine - Risk and Safety
Hazard Symbols | Xi - Irritant
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Safety Description | S22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.
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WGK Germany | 3 |
4,4,4,5,5,5-hexafluoro-dl-valine - Introduction
4,4,4,5,5,5-hexafluoro-DL-valine (full name: 4,4,4,4 ',4',4 ',4'-Hexafluoro-DL-valine) is an organic compound with the chemical formula C5H5F6NO2.
Nature:
-Appearance: Colorless crystalline solid
-Melting point: About 150 degrees Celsius
-Boiling point: About 365 degrees Celsius
-Solubility: can be dissolved in water and organic solvents
Use:
4,4,5,5,5-hexafluoro-DL-valine is mainly used in the pharmaceutical field as an intermediate for the synthesis of drugs. It can be used to synthesize specific functional groups in drug molecules to modify the properties and biological activity of the drug. In addition, hexafluoro-DL-valine can also be used as an analytical reagent due to its stability and low toxicity.
Method:
The preparation of hexafluoro-DL-valine generally involves a multi-step organic synthesis process. The following is a possible synthetic route:
1. Starting from benzoic acid, through chlorination, nitrosylation, diazotization reaction, synthesis of benzoyl chloride.
2. Benzoyl chloride is reacted with hydrogen fluoride to obtain benzoyl fluoride.
3. Benzoyl fluoride reacts with isocyanate to generate the corresponding ester.
4. Further, 4,4,4,5,5,5-hexafluoro-DL-valine is obtained by reaction such as reduction and acid hydrolysis.
Safety Information:
4,4,5,5,5-hexafluoro-DL-valine has no obvious harm under regular operating conditions. However, any chemical should be used with caution. Care should be taken to avoid inhalation, swallowing and skin contact. It is recommended to wear appropriate personal protective equipment when using chemicals, such as lab gloves, safety glasses and laboratory coats. In the event of an accident or discomfort, medical assistance should be sought immediately. In addition, hexafluoro-DL-valine should be stored in a dry, cool place and away from fire and flammable materials.
Last Update:2024-04-09 21:04:16