198994

Sigma-Aldrich

Sodium 3-methyl-2-oxobutyrate

greener alternative

95%

Synonym(s):
3-Methyl-2-oxobutyric acid sodium salt, Ketovaline sodium salt, α-Ketoisovaleric acid sodium salt, 2-Keto-3-methylbutyric acid sodium salt, 3-Methyl-2-oxobutanoic acid sodium salt
Linear Formula:
(CH3)2CHCOCOONa
CAS Number:
Molecular Weight:
138.10
Beilstein/REAXYS Number:
4334552
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

assay

95%

greener alternative product score

old score: 14
new score: 9
Find out more about DOZN™ Scoring

greener alternative product characteristics

Waste Prevention
Atom Economy
Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

mp

220-230 °C (dec.) (lit.)

solubility

water: soluble 100 mg/mL, clear, colorless

greener alternative category

Re-engineered

SMILES string

[Na+].CC(C)C(=O)C([O-])=O

InChI

1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1

InChI key

WIQBZDCJCRFGKA-UHFFFAOYSA-M

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Application

Sodium 3-methyl-2-oxobutyrate (3-Methyl-2-oxobutanoic acid sodium salt) was used in the synthesis of (S)-2-hydroxy-3-methylbutanoic acid.

Packaging

5, 25 g in glass bottle

storage_class_code

11 - Combustible Solids

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

An evaluation of the substrate specificity and asymmetric synthesis potential of the cloned L-lactate dehydrogenase from Bacillus stearothermophilus.
Canadian Journal of Chemistry, 67(6), 1065-1070 (1989)
Isabel Ayala et al.
Journal of biomolecular NMR, 43(2), 111-119 (2008-12-31)
A strategy for the introduction of ((1)H,(13)C-methyl)-alanine into perdeuterated proteins is described. Specific protonation of alanine methyl groups to a level of 95% can be achieved by overexpressing proteins in M9/D(2)O based bacterial growth medium supplemented with 800 mg/l of...
Frances H A Huisman et al.
Biochemistry, 51(11), 2289-2297 (2012-02-23)
α-Isopropylmalate synthase (α-IPMS) catalyzes the metal-dependent aldol reaction between α-ketoisovalerate (α-KIV) and acetyl-coenzyme A (AcCoA) to give α-isopropylmalate (α-IPM). This reaction is the first committed step in the biosynthesis of leucine in bacteria. α-IPMS is homodimeric, with monomers consisting of...
Joachim Schuster et al.
Plant molecular biology, 57(2), 241-254 (2005-04-12)
Plants are capable to de novo synthesize the essential amino acids leucine, isoleucine and valine. Studies in recent years, however, also revealed that plants have the potential to degrade leucine or may be all of the branched-chain amino acids. One...
H C Beck et al.
Journal of applied microbiology, 96(5), 1185-1193 (2004-04-14)
Staphylococcus xylosus is an important starter culture in the production of flavours from the branched-chain amino acids leucine, valine and isoleucine in fermented meat products. The sensorially most important flavour compounds are the branched-chain aldehydes and acids derived from the...

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