(2S)-2-(dimethylamino)-3-methylbutanoic acid

Basic Information

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CAS Number

2812-32-0

Molecular Formula

C7H15NO2

Molecular Weight

145.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

153 ºC

Boiling Point

209 ºC

Flash Point

80 ºC

SMILES

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CC(C)C(C(=O)O)N(C)C

InChI

InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1

InChIKey

APGLTERDKORUHK-LURJTMIESA-N

LogP

0.6572

Topological Polar Surface Area

40.540000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

121

Synonyms & References

English

APGLTERDKORUHK-LURJTMIESA-N
L-Valine, N,N-dimethyl-
n,n-dimethyl valine
2812-32-0
N,N-Dimethyl-L-Valine
CHEBI:173190
EN300-106003
(2S)-2-(dimethylamino)-3-methylbutanoic acid
(S)-2-(Dimethylamino)-3-methylbutanoic acid
dimethylvaline
N12291
AKOS006285956
AMY37548
AKOS005254862
J-016982
MFCD08059008
DTXSID10451600
CS-0068124
Z1198175490
N,N-dimethylvaline
N-dimethyl-l-valine
SCHEMBL214942
N,N-Dimethy-L-valine
IMINO(AMINO)METHANESULFONIC ACID
N,N-Dimethyl-L-valine
N,N-Dimethylvaline hydrochloride
L-N,N-dimethylvaline
L-N,N-DiMeVal
L-Valine,N,N-dimethyl
N,N-dimethyl-S-valine
N,N-Me2-L-Val

MDL Number

MFCD08059008

Customs Code

2922499990

FAQ

What are the physical and chemical properties of (2S)-2-(dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0)?

(2S)-2-(Dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0) is a white crystalline solid with a molecular weight of approximately 166.27 g/mol. It has a limited solubility in water (0.1 g/L at 25°C) and is soluble in organic solvents like ethanol and acetone. It is moderately reactive, showing basic properties due to the dimethylamino group. The compound is stable under normal conditions but should be protected from strong acids and bases.

How is (2S)-2-(dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0) typically synthesized?

(2S)-2-(Dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0) can be synthesized via a multistep route, starting with the synthesis of the corresponding alkene. Common methods include Wittig olefination followed by hydrolysis and final deprotection using acid catalysis. The yield is typically around 60-70% depending on the specific reaction conditions and purity of starting materials.

What industries use (2S)-2-(dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0)?

(2S)-2-(Dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0) is used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the polymer industry for the production of functional polymers and in the semiconductor industry for the development of sensing materials. Additionally, it has applications in the agricultural sector as a chelating agent and in the food industry as a flavor enhancer.

What precautions should be taken when handling (2S)-2-(dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0)?

When handling (2S)-2-(Dimethylamino)-3-methylbutanoic acid (CAS: 2812-32-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Handle in a well-ventilated area or under a fume hood due to its basic nature. Spills should be cleaned up carefully using absorbent materials. In case of skin contact or eye exposure, flush with plenty of water. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.