2-Methyl-2-propanyl beta-alaninate

Basic Information

View in Editor

CAS Number

15231-41-1

Molecular Formula

C7H15NO2

Molecular Weight

145.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

192 ºC

Flash Point

64 ºC

SMILES

View in Editor

CC(C)(C)OC(=O)CCN

InChI

InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3

InChIKey

ZJXHVYSDMUKUCA-UHFFFAOYSA-N

LogP

0.6768999999999996

Topological Polar Surface Area

52.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

115

Synonyms & References

English

Y10345
HY-W017970
beta-alanine-tert-butyl ester
beta-alanine t-butylester
A884030
beta-alanine t-butyl ester
ZJXHVYSDMUKUCA-UHFFFAOYSA-N
NS00015191
BB 0255109
MFCD06212562
SY102377
10.14272/ZJXHVYSDMUKUCA-UHFFFAOYSA-N.2
SCHEMBL132540
beta-alanine tert.-butyl ester
a-alanine tert-butyl ester
b-Alanine tert-butyl ester
Boc-C2-NH2
DTXSID60400603
DS-18472
tert-butyl3-aminopropanoate
doi:10.14272/ZJXHVYSDMUKUCA-UHFFFAOYSA-N.1
t-butyl 3-aminopropionate
1,1-dimethylethyl beta-alaninate
SB33827
AM20120548
doi:10.14272/ZJXHVYSDMUKUCA-UHFFFAOYSA-N.2
beta-alanine tert-butyl ester
CS-W018756
tert-butyl 3-aminopropionate
3-Aminopropionic acid tert-butyl ester
3-amino-propionic acid tert-butyl ester

MDL Number

MFCD06212562

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1)?

2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1) is a crystalline solid with a molecular weight of approximately 173.3 g/mol. It is slightly soluble in water and readily soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly in acidic media, and can undergo hydrolysis to form alanine and 2-methyl-2-propanol.

How is 2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1) typically synthesized?

2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1) is typically synthesized via the condensation of 2-methyl-2-propanol with beta-alanine using a strong acid catalyst such as hydrochloric acid. The reaction is carried out under reflux conditions to ensure complete conversion, yielding a mixture that can be purified by recrystallization from organic solvents.

What industries use 2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1)?

2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1) is primarily used in pharmaceuticals for its potential as a chelating agent and in the synthesis of certain compounds. It also finds applications in the polymer industry as a stabilizer and in the development of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling 2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1)?

Proper handling of 2-Methyl-2-propanyl beta-alaninate (CAS: 15231-41-1) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of spill, handle with care and use appropriate containment measures. Safety data sheets (SDS) should be consulted for detailed handling instructions and emergency procedures.