ChemicalBook--->CAS DataBase List--->15231-41-1

15231-41-1

15231-41-1 Structure

15231-41-1 Structure
IdentificationBack Directory
[Name]

tert-butyl 3-aminopropanoate
[CAS]

15231-41-1
[Synonyms]

Boc-C2-NH2
H-Beta-Ala-Otbu
tert-Butyl b-alaninate
b-Alanine tert-butyl ester
tert-butyl 3-aminopropanoate
β-Alanine,1,1-dimethylethylester
β-Alanine, 1,1-dimethylethyl ester
b-Alanine, 1,1-diMethylethyl ester
3-Aminopropionic acid tert-butyl ester
[Molecular Formula]

C7H15NO2
[MDL Number]

MFCD06212562
[MOL File]

15231-41-1.mol
[Molecular Weight]

145.2
Chemical PropertiesBack Directory
[Boiling point ]

192 ºC
[density ]

0.959
[Fp ]

64 ºC
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[form ]

liquid
[pka]

8.67±0.10(Predicted)
[color ]

Colourless
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280-P304+P340-P305+P351+P338-P312
[HS Code ]

2922498590
Hazard InformationBack Directory
[Uses]

tert-Butyl 3-Aminopropanoate is an intermediate useful in the synthesis of rac-3-Oxo Atorvastatin Sodium Salt (O847150), which is a byproduct impurity of Atorvastatin Calcium (A791750), a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia.
[Synthesis]

tert-Butyl cyanoacetate

1116-98-9

tert-butyl 3-aminopropanoate

15231-41-1

The general procedure for the synthesis of tert-butyl 3-aminopropionate from tert-butyl cyanoacetate is as follows: 200 g of tert-butyl cyanoacetate was added to the reactor, followed by the addition of 1 kg of 2% methanol-ammonia aqueous solution and 20 g of Ruannei nickel. The reaction kettle was sealed and replaced three times with nitrogen and then three times with hydrogen. The hydrogen pressure was adjusted to 5 MPa, heated to 55 °C, and the reaction was carried out under stirring for 6 h, during which the hydrogen was continuously replenished. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated to about 200 g and diluted with ethyl acetate. After cooling, the pH was adjusted to 3 with ethyl acetate-hydrogen chloride solution, the reaction system was concentrated again and the precipitated solid was dried to give 198 g of the target product tert-butyl 3-aminopropionate.

[IC 50]

Alkyl/ether
[References]

[1] Patent: CN105367435, 2016, A. Location in patent: Paragraph 0022; 0023
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 3-aminopropanoate(15231-41-1)1HNMR
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