ChemicalBook > CAS DataBase List > 2,2,6,6-Tetramethyl-3,5-heptanedione

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

CAS No.1118-71-4
Chemical Name:2,2,6,6-Tetramethyl-3,5-heptanedione
CBNumber:CB1373637
Molecular Formula:C11H20O2
Formula Weight:184.28
MOL File:1118-71-4.mol

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

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.)
Flash point 153 °F
storage temp. Sealed in dry,Room Temperature
solubility Difficult to mix.
pka 11.60±0.10(Predicted)
form Liquid
color Clear colorless to slightly yellow
Specific Gravity 0.883
BRN 1447269
InChIKey YRAJNWYBUCUFBD-UHFFFAOYSA-N
LogP 2.818 (est)
CAS DataBase Reference 1118-71-4(CAS DataBase Reference)
FDA UNII R8UI909HOY
EPA Substance Registry System 3,5-Heptanedione, 2,2,6,6-tetramethyl- (1118-71-4)
UNSPSC Code 12352100
NACRES NA.22

Safety

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

NFPA 704:

	2
1		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H227-H302
Precautionary statements P210e-P264-P280a-P301+P312a-P501a-P210-P280-P370+P378-P403+P235-P501

2,2,6,6-Tetramethyl-3,5-heptanedione Price More Price(6)

Brand: Sigma-Aldrich(India)
Product number: 155756
Product name : 2,2,6,6-Tetramethyl-3,5-heptanedione
Purity: 98%
Packaging: 5G
Price: ₹4362.48
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 155756
Product name : 2,2,6,6-Tetramethyl-3,5-heptanedione
Purity: 98%
Packaging: 25G
Price: ₹14213.23
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 87851
Product name : 2,2,6,6-Tetramethyl-3,5-heptanedione
Purity: for GC derivatization, LiChropur?, ≥98.0%
Packaging: 25ML
Price: ₹46915.55
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 155756
Product name : 2,2,6,6-Tetramethyl-3,5-heptanedione
Purity: 98%
Packaging: 100G
Price: ₹40344.78
Updated: 2022/06/14
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Brand: TCI Chemicals (India)
Product number: D1678
Product name : Dipivaloylmethane
Purity: min. 97.0 %
Packaging: 5G
Price: ₹3500
Updated: 2022/05/26
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2,2,6,6-Tetramethyl-3,5-heptanedione Chemical Properties,Usage,Production

Chemical Properties CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
Uses suzuki reaction
Uses 2,2,6,6-Tetramethyl-3,5-heptanedione is a beta diketone with antibacterial activity.
Uses 2,2,6,6-tetramethyl-3,5-heptanedione was used in the synthesis of α-aryl-β-diketones1 and dicyanamidobenzene-bridge diruthenium complex.
Definition 2,2,6,6-Tetramethyl-3,5-heptanedioneis a stable, anhydrous reagent. It undergoes O-additions and C-additions. In various reactions, it acts as an air-stable ligand for metal catalysts. Furthermore, it serves as a substrate for heterocycles.
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.
reaction suitability reagent type: derivatization reagent
reaction type: Acylations
Synthesis Methyl pivalate and formamide could be used as starting materials to synthesize 2,2,6,6-Tetramethyl-3,5-heptanedione.