ChemicalBook--->CAS DataBase List--->2901-80-6

2901-80-6

2901-80-6 Structure

2901-80-6 Structure
IdentificationMore
[Name]

BENZOYL-DL-VALINE
[CAS]

2901-80-6
[Synonyms]

2-(BENZOYLAMINO)-3-METHYLBUTANOIC ACID
BENZOYL-DL-VALINE
IFLAB-BB F1924-0012
N-BENZOYL-DL-VAL
N-BENZOYL-DL-VALINE
Benzoylvaline
N-Benzoylvaline
rac-(R*)-N-Benzoyl-2-isopropylglycine
[Molecular Formula]

C12H15NO3
[MDL Number]

MFCD00038283
[Molecular Weight]

221.25
[MOL File]

2901-80-6.mol
Chemical PropertiesBack Directory
[Melting point ]

132°C
[Boiling point ]

451.8±28.0 °C(Predicted)
[density ]

1.157±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

almost transparency in Methanol
[form ]

powder to crystal
[pka]

3.79±0.10(Predicted)
[color ]

White to Almost white
[LogP]

1.536 (est)
[CAS DataBase Reference]

2901-80-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2924.21.4500
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Uses]

Benzoyl-DL-Valine is a valine derivative[1].
[Synthesis]

Benzoyl chloride

98-88-4

DL-Valine

516-06-3

2-benzamido-3-methylbutanoic acid

2901-80-6

Step A: Synthesis of N-benzoyl-DL-valine 1. 0.1 mole (11.7 g) of DL-valine was dissolved in 50 mL of deionized water. 2. 0.25 moles of aqueous sodium hydroxide was added to the above solution. 3. The reaction mixture was heated to 30 °C and 0.15 mol (17.5 mL) of benzoyl chloride was added slowly and dropwise with stirring. 4. Upon completion of the reaction, the aqueous phase is extracted with ether to remove unreacted benzoyl chloride and other organic impurities. 5. The aqueous phase is acidified to pH 2-3 to induce precipitation of N-benzoyl-DL-valine crystals. 6. 6. The crystals are collected by filtration and washed with a small amount of cold water. 7. 7. N-benzoyl-DL-valine was obtained after drying and the melting point was determined to be 125° C. The yield was about 95%.

[References]

[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. DOI:10.1080/10408398.2012.708368
Spectrum DetailBack Directory
[Spectrum Detail]

BENZOYL-DL-VALINE(2901-80-6)MS
BENZOYL-DL-VALINE(2901-80-6)1HNMR
BENZOYL-DL-VALINE(2901-80-6)13CNMR
BENZOYL-DL-VALINE(2901-80-6)IR1
BENZOYL-DL-VALINE(2901-80-6)IR2
BENZOYL-DL-VALINE(2901-80-6)Raman
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

Benzoyl-DL-valine,>98.0%(T)(2901-80-6)
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