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CAS No.: | 10569-72-9 |
---|---|
Name: | DL-3-Aminoisobutyric acid |
Article Data: | 50 |
Molecular Structure: | |
Formula: | C4H9NO2 |
Molecular Weight: | 103.121 |
Synonyms: | (1)-3-Amino-2-methylpropionic acid;(±)-b-Aminoisobutyric acid;DL-Beta-Aminoisobutyric Acid;H-Aib-OH; |
EINECS: | 234-154-7 |
Density: | 1.105 g/cm3 |
Melting Point: | 179-182 °C(lit.) |
Boiling Point: | 223.6 °C at 760 mmHg |
Flash Point: | 89 °C |
Appearance: | white crystal or crystalline powder |
Safety: | 22-24/25 |
PSA: | 63.32000 |
LogP: | 0.36610 |
5,6-dihydrothymine
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With phosphoric acid; dihydropyrimidinase; N-carbamoyl- -alanine amidohydrolase; nickel dichloride In aq. phosphate buffer at 30℃; pH=8; Enzymatic reaction; |
2-benzyl-4-methylisoxazolidin-5-one
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen In 1,4-dioxane; water at 85℃; for 16h; | 95% |
4-methyl-N-(S)-1-phenylethylisoxazolidin-5-one
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen In 1,4-dioxane; water at 85℃; for 16h; | 87% |
trans-1-benzoyl-2-tert-butyl-3,5-dimethylperhydropyrimidin-4-one
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With hydrogenchloride at 180℃; for 8h; | 69% |
2-methyl-3-benzylaminopropanoic acid
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol | |
With hydrogen; PdCl2/C In acetic acid |
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In tetrahydrofuran; methanol |
B
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With naphthalene; sodium In 1,2-dimethoxyethane at -78℃; for 0.5h; | A 31 mg B n/a |
B
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With naphthalene; sodium In 1,2-dimethoxyethane at -78℃; for 0.5h; | A 67 mg B n/a |
ethyl 2-cyanopropionate
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid; platinum Hydrogenation.wiederholtes Eindampfen des Reaktionsprodukts mit Wasser; |
N,N,O-Tris-(trimethylsilyl)-β-aminoisobuttersaeure
DL-3-aminoisobutyric acid
Conditions | Yield |
---|---|
With water; triethylamine In tetrahydrofuran; pentane at 20℃; |
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The CAS registry number of DL-3-Aminoisobutyric acid is 10569-72-9. The IUPAC name is 3-amino-2-methylpropanoic acid. In addition, the molecular formula is C4H9NO2. What's more, it belongs to the class of Amino Acids. Besides, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -3.01; (3)ACD/LogD (pH 7.4): -3.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 25.63 cm3; (14)Molar Volume: 93.2 cm3; (15)Polarizability: 10.16 ×10-24cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.105 g/cm3; (18)Flash Point: 89 °C; (19)Enthalpy of Vaporization: 50.68 kJ/mol; (20)Boiling Point: 223.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0352 mmHg at 25°C.
Preparation of DL-3-Aminoisobutyric acid: it can be prepared by 2-benzyl-4-methylisoxazolidin-5-one. This reaction will need reagents H2 and Pd/C, and solvents dioxane and H2O. The reaction time is 16 hours at reaction temperature of 85 °C. The yield is about 95%.
Uses of DL-3-Aminoisobutyric acid: it can be used to get 3-methyl-azetidin-2-one. This reaction will need reagents 2-chloro-1-methylpyridinium iodide and Et3N, and solvent acetonitrile. The reaction time is 2 hours by heating. The yield is about 57%.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes. In addition, do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C)CN
(2)InChI: InChI=1/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
(3)InChIKey: QCHPKSFMDHPSNR-UHFFFAOYAN