87851

Supelco

2,2,6,6-Tetramethyl-3,5-heptanedione

for GC derivatization, LiChropur, ≥98.0%

Synonym(s):
Dipivaloylmethane
Linear Formula:
(CH3)3CCOCH2COC(CH3)3
CAS Number:
Molecular Weight:
184.28
Beilstein/REAXYS Number:
1447269
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

grade

for GC derivatization

assay

≥98.0% (GC)
≥98.0%

quality

LiChropur

reaction suitability

reagent type: derivatization reagent
reaction type: Acylations

refractive index

n20/D 1.456-1.462
n20/D 1.459 (lit.)

bp

72-73 °C/6 mmHg (lit.)

density

0.883 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3

InChI key

YRAJNWYBUCUFBD-UHFFFAOYSA-N

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General description

Acylation, a replacement to silylation, allows the conversion of compounds that consist of active hydrogens (-OH, -SH and -NH) into esters, thioesters, and amides via the action of a carboxylic acid or derivative. The carbonyl group adjacent to the halogenated carbons is known to improve the electron capture detector (ECD) response. Acylation has several advantages:
  • It enhances the stability of compounds by protecting unstable groups.
  • It may confer volatility on substances like carbohydrates or amino acids, that have several polar groups that they are non-volatile and usually decompose on heating.
  • It facilitates the separations not possible with underivatized compounds.
  • Compounds are detectable at very low levels with an ECD.

2,2,6,6-Tetramethyl-3,5-heptanedione is a reagent used to form fragmentation-directing derivatives for GC/MS analysis.

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Certificate of Analysis

Certificate of Origin

Elizabeth Buck et al.
Organic letters, 4(9), 1623-1626 (2002-04-27)
[reaction: see text]. In the copper salt catalyzed ether formation from aryl bromides or iodides and phenols, 2,2,6,6-tetramethylheptane-3,5-dione (TMHD) was found to greatly accelerate the ordinarily difficult reaction, making it occur under more moderate temperatures and reaction times. A series...
Franklin P Ow et al.
The journal of physical chemistry. A, 110(25), 7751-7754 (2006-06-23)
Laser photoionization and ligand photodissociation in Ln(thd)(3) (Ln = Eu, Tb, Gd; thd = 2,2,6,6-tetramethyl-3,5-heptanedionato) are studied in a molecular beam via time-of-flight mass spectrometry. The fragmentation patterns are strongly wavelength dependent. With 355 nm excitation, the mass spectrum is...
R Schwartz
Federation proceedings, 41(10), 2709-2713 (1982-08-01)
The potential of the stable isotope 26Mg (natural abundance 11.01 atom %) as a biological tracer has been explored using neutron activation (NA) and mass spectrometry (MS) for detection. The high natural abundance of this isotope restricts its utility to...
Ultrafine 239PuO2 aerosol generation, characterization and short-term inhalation study in the rat.
G M Kanapilly et al.
Health physics, 39(3), 505-519 (1980-09-01)

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