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DL-3-Aminoisobutyric acid

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Name

DL-3-Aminoisobutyric acid

EINECS 234-154-7
CAS No. 10569-72-9 Density 1.105 g/cm3
PSA 63.32000 LogP 0.36610
Solubility N/A Melting Point 179-182 °C(lit.)
Formula C4H9NO2 Boiling Point 223.6 °C at 760 mmHg
Molecular Weight 103.121 Flash Point 89 °C
Transport Information N/A Appearance white crystal or crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 10569-72-9 (DL-3-Aminoisobutyric acid) Hazard Symbols N/A
Synonyms

(1)-3-Amino-2-methylpropionic acid;(±)-b-Aminoisobutyric acid;DL-Beta-Aminoisobutyric Acid;H-Aib-OH;

Article Data 50

DL-3-Aminoisobutyric acid Synthetic route

696-04-8

5,6-dihydrothymine

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With phosphoric acid; dihydropyrimidinase; N-carbamoyl- -alanine amidohydrolase; nickel dichloride In aq. phosphate buffer at 30℃; pH=8; Enzymatic reaction;
95503-63-2

2-benzyl-4-methylisoxazolidin-5-one

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen In 1,4-dioxane; water at 85℃; for 16h;95%
95503-68-7, 95503-69-8

4-methyl-N-(S)-1-phenylethylisoxazolidin-5-one

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen In 1,4-dioxane; water at 85℃; for 16h;87%
131932-58-6

trans-1-benzoyl-2-tert-butyl-3,5-dimethylperhydropyrimidin-4-one

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With hydrogenchloride at 180℃; for 8h;69%
66839-25-6

2-methyl-3-benzylaminopropanoic acid

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol
With hydrogen; PdCl2/C In acetic acid

2-dibenzylaminomethyl-propionic acid

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With ammonium formate; palladium on activated charcoal In tetrahydrofuran; methanol

(2S,3S)-3-Methyl-1-(toluene-4-sulfonyl)-azetidine-2-carboxylic acid

A

(2S,3S)-3-methylazetidine-2-carboxylic acid

B

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With naphthalene; sodium In 1,2-dimethoxyethane at -78℃; for 0.5h;A 31 mg
B n/a

(2R,3R)-3-Methyl-1-(toluene-4-sulfonyl)-azetidine-2-carboxylic acid

A

(2R,3R)-3-methylazetidine-2-carboxylic acid

B

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With naphthalene; sodium In 1,2-dimethoxyethane at -78℃; for 0.5h;A 67 mg
B n/a
1572-99-2

ethyl 2-cyanopropionate

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With sulfuric acid; acetic acid; platinum Hydrogenation.wiederholtes Eindampfen des Reaktionsprodukts mit Wasser;
55125-15-0

N,N,O-Tris-(trimethylsilyl)-β-aminoisobuttersaeure

10569-72-9

DL-3-aminoisobutyric acid

Conditions
ConditionsYield
With water; triethylamine In tetrahydrofuran; pentane at 20℃;

DL-3-Aminoisobutyric acid Specification

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%.

DL-3-Aminoisobutyric acid can be prepared by 2-benzyl-4-methylisoxazolidin-5-one

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%.

DL-3-Aminoisobutyric acid can be used to get 3-methyl-azetidin-2-one

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

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