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2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE Basic information

Product Name: 2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE

Synonyms: (CH3)3CCOCH2COC(CH3)3;2,2,6,6-Tetramethyl heptanedione;2,2,6,6-tetramethyl-5-heptanedione;TMHD;DIPIVALOYLMETHANE;2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE DIPIVALOYLMETHANE;2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE;2,2,6,6-TETRAMETHYLHEPTANE-3,5-DIONE

CAS: 1118-71-4

MF: C11H20O2

MW: 184.28

EINECS: 214-268-3

Product Categories: Achiral Oxygen;organic compound;Environmentally-friendly Oxidation;Ligands (Environmentally-friendly Oxidation);Synthetic Organic Chemistry;CHIRAL CHEMICALS

Mol File: 1118-71-4.mol

2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE Structure

2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE Chemical Properties

Melting point >400 °C (decomp)

Boiling point 72-73 °C/6 mmHg (lit.)

density 0.883 g/mL at 25 °C (lit.)

refractive index n20/D 1.459(lit.)

Fp 153 °F

storage temp. Sealed in dry,Room Temperature

solubility Difficult to mix.

form Liquid

pka 11.60±0.10(Predicted)

Specific Gravity 0.883

color Clear colorless to slightly yellow

BRN 1447269

InChIKey YRAJNWYBUCUFBD-UHFFFAOYSA-N

LogP 2.818 (est)

CAS DataBase Reference 1118-71-4(CAS DataBase Reference)

EPA Substance Registry System 3,5-Heptanedione, 2,2,6,6-tetramethyl- (1118-71-4)

Safety Information

Hazard Codes Xn

Risk Statements 22-40-36/37/38

Safety Statements 24/25-36-26-22

RIDADR UN 1993 / PGIII

WGK Germany 3

TSCA T

HS Code 29141900

MSDS Information

Provider Language

SigmaAldrich English

ACROS English

ALFA English

2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE Usage And Synthesis

Chemical Properties CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

Uses suzuki reaction

Uses 2,2,6,6-tetramethyl-3,5-heptanedione was used in the synthesis of α-aryl-β-diketones1 and dicyanamidobenzene-bridge diruthenium complex.

Uses 2,2,6,6-Tetramethyl-3,5-heptanedione is a beta diketone with antibacterial activity.

Synthesis Reference(s) Journal of the American Chemical Society, 100, p. 5428, 1978 DOI: 10.1021/ja00485a030

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.

2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE Preparation Products And Raw materials

Raw materials Ethanol-->Hydrochloric acid-->Ethyl acetate-->Diethyl ether-->Tetrahydrofuran-->N,N-Dimethylformamide-->Sodium hydride-->Pinacolone-->Methyl trimethylacetate-->4-Heptyn-3-one, 2,2,6,6-tetramethyl--->Benzenemethanamine, N-(1,2,2-trimethylpropylidene)--->Dipivaloylamine-->2,2-Dimethylpropanoic acid phenyl ester-->Propanamide,2,2-dimethyl-N-(phenylmethyl)--->2,3,3-TRIMETHYL-2-BUTANOL-->8-Hydroxyquinoline

Preparation Products N,N-DIPHENYLQUINACRIDONE-->2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO POTASSIUM-->3,5-Heptanedione, 4-bromo-2,2,6,6-tetramethyl-